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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 11:50:02 UTC

Update Date

2021-09-26 23:06:34 UTC

HMDB ID

HMDB0253396

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Ile-Glu-Thr-Asp-fluoromethyl ketone

Description

Ile-Glu-Thr-Asp-fluoromethyl ketone belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Based on a literature review a small amount of articles have been published on Ile-Glu-Thr-Asp-fluoromethyl ketone. This compound has been identified in human blood as reported by (PMID: 31557052 ). Ile-glu-thr-asp-fluoromethyl ketone is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Ile-Glu-Thr-Asp-fluoromethyl ketone is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv1652309112113502D          

 34 33  0  0  0  0            999 V2000
    6.0134    2.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6551    3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5533    2.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0666    3.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8366    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9649    2.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4782    3.5988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2481    3.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3764    2.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1464    2.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2747    1.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6331    0.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0446    1.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897    3.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7614    4.6360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6597    3.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3013    4.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1729    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8146    5.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4030    5.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0712    3.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1995    2.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7128    4.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4828    3.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1244    4.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8943    4.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5359    4.7101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0226    3.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6111    3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9695    2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3810    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5093    2.0429    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9383    4.1915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
  5 34  1  0  0  0  0
M  END

HMDB0253396
     RDKit          3D
Ile-Glu-Thr-Asp-fluoromethyl ketone
 67 66  0  0  0  0  0  0  0  0999 V2000
   -4.8095   -1.4871   -3.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6853   -2.2097   -2.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0245   -2.8818   -1.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1400   -3.5561   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2677   -2.0156   -0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0588   -0.9966    0.4516 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0323   -1.4421   -0.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2987   -2.1753   -1.5008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6783   -0.0910   -0.5811 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4813    0.5182   -1.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8161    1.8028   -1.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4491    2.8656   -0.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916    3.3776    0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7165    2.9607    1.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8367    4.4706   -0.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4449    0.6422   -0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808    0.1323    1.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8014    1.2845   -0.2837 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    1.3161    0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0086    0.6632    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1932    0.5242   -0.9353 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9833    0.1814    1.1996 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1888   -0.4645    0.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9967   -1.9758    0.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7201   -2.5170    2.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6461   -1.7940    3.0279 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5340   -3.8878    2.1587 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3803   -0.0436    1.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3041    0.7650    2.3822 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7110   -0.5735    1.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3827    0.3276    0.2561 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0078    2.7741    1.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9008    2.9640    2.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4878    3.4779    0.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0047   -2.1726   -3.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3159   -0.5851   -2.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2295   -3.0085   -2.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4959   -1.5380   -1.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3470   -3.6918   -1.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0219   -2.8919   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8347   -3.5949    0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4202   -4.5351   -0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9025   -2.6981    0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2146   -0.1821   -0.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5437   -0.5802    1.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3062    0.5027    0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704   -0.2094   -1.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4522    1.5583   -2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8961    2.2671   -2.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6813    3.7155   -1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4718    2.5874   -0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072    5.3676    0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0061    1.7281   -1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    0.7842    1.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858    0.2558    2.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3002   -0.1764   -0.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830   -2.1442    0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530   -2.4719    0.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0779   -4.3980    2.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3057   -0.8580    1.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5676   -1.4758    0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121    3.1770    1.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9753    3.1471    2.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9717    4.2959    0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  5  7  1  0
  7  8  2  0
  7  9  1  0
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 13 14  2  0
 13 15  1  0
 10 16  1  0
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 16 18  1  0
 18 19  1  0
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 32 33  1  0
 32 34  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  2 38  1  0
  2 39  1  0
  3 40  1  0
  4 41  1  0
  4 42  1  0
  4 43  1  0
  5 44  1  0
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  9 47  1  0
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 32 63  1  0
 33 64  1  0
 33 65  1  0
 33 66  1  0
 34 67  1  0
M  END

  Mrv1652309112113502D          

 34 33  0  0  0  0            999 V2000
    6.0134    2.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6551    3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5533    2.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0666    3.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8366    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9649    2.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4782    3.5988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2481    3.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3764    2.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1464    2.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2747    1.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6331    0.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0446    1.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897    3.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7614    4.6360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6597    3.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3013    4.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1729    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8146    5.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4030    5.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0712    3.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1995    2.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7128    4.2655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4828    3.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1244    4.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8943    4.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5359    4.7101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0226    3.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6111    3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9695    2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5093    2.0429    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9383    4.1915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
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 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
  5 34  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0253396

> <DATABASE_NAME>
hmdb

> <SMILES>
CCC(C)C(N)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)CF

> <INCHI_IDENTIFIER>
InChI=1S/C20H33FN4O9/c1-4-9(2)16(22)19(33)23-11(5-6-14(28)29)18(32)25-17(10(3)26)20(34)24-12(7-15(30)31)13(27)8-21/h9-12,16-17,26H,4-8,22H2,1-3H3,(H,23,33)(H,24,34)(H,25,32)(H,28,29)(H,30,31)

> <INCHI_KEY>
YZASDHNWFGXPNR-UHFFFAOYSA-N

> <FORMULA>
C20H33FN4O9

> <MOLECULAR_WEIGHT>
492.501

> <EXACT_MASS>
492.223156822

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
47.124511061253976

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{2-[2-(2-amino-3-methylpentanamido)-4-carboxybutanamido]-3-hydroxybutanamido}-5-fluoro-4-oxopentanoic acid

> <ALOGPS_LOGP>
-3.12

> <JCHEM_LOGP>
-4.620809928002766

> <ALOGPS_LOGS>
-2.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.180059905244502

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.574733047827809

> <JCHEM_PKA_STRONGEST_BASIC>
8.205510394254809

> <JCHEM_POLAR_SURFACE_AREA>
225.22

> <JCHEM_REFRACTIVITY>
112.33559999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.29e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{2-[2-(2-amino-3-methylpentanamido)-4-carboxybutanamido]-3-hydroxybutanamido}-5-fluoro-4-oxopentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0253396
     RDKit          3D
Ile-Glu-Thr-Asp-fluoromethyl ketone
 67 66  0  0  0  0  0  0  0  0999 V2000
   -4.8095   -1.4871   -3.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6853   -2.2097   -2.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0245   -2.8818   -1.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1400   -3.5561   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2677   -2.0156   -0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0588   -0.9966    0.4516 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0323   -1.4421   -0.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2987   -2.1753   -1.5008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6783   -0.0910   -0.5811 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4813    0.5182   -1.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8161    1.8028   -1.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4491    2.8656   -0.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916    3.3776    0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7165    2.9607    1.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8367    4.4706   -0.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4449    0.6422   -0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808    0.1323    1.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8014    1.2845   -0.2837 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    1.3161    0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0086    0.6632    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1932    0.5242   -0.9353 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9833    0.1814    1.1996 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1888   -0.4645    0.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9967   -1.9758    0.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7201   -2.5170    2.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6461   -1.7940    3.0279 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5340   -3.8878    2.1587 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3803   -0.0436    1.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3041    0.7650    2.3822 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7110   -0.5735    1.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3827    0.3276    0.2561 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0078    2.7741    1.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9008    2.9640    2.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4878    3.4779    0.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0047   -2.1726   -3.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3159   -0.5851   -2.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4002   -1.2205   -4.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2295   -3.0085   -2.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4959   -1.5380   -1.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3470   -3.6918   -1.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0219   -2.8919   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8347   -3.5949    0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4202   -4.5351   -0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9025   -2.6981    0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2146   -0.1821   -0.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5437   -0.5802    1.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3062    0.5027    0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704   -0.2094   -1.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4522    1.5583   -2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8961    2.2671   -2.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6813    3.7155   -1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4718    2.5874   -0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072    5.3676    0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0061    1.7281   -1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    0.7842    1.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858    0.2558    2.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3002   -0.1764   -0.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830   -2.1442    0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530   -2.4719    0.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0779   -4.3980    2.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3057   -0.8580    1.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5676   -1.4758    0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121    3.1770    1.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9753    3.1471    2.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7916    2.1783    3.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694    3.9310    2.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9717    4.2959    0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 10 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 23 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 19 32  1  0
 32 33  1  0
 32 34  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  2 38  1  0
  2 39  1  0
  3 40  1  0
  4 41  1  0
  4 42  1  0
  4 43  1  0
  5 44  1  0
  6 45  1  0
  6 46  1  0
  9 47  1  0
 10 48  1  0
 11 49  1  0
 11 50  1  0
 12 51  1  0
 12 52  1  0
 15 53  1  0
 18 54  1  0
 19 55  1  0
 22 56  1  0
 23 57  1  0
 24 58  1  0
 24 59  1  0
 27 60  1  0
 30 61  1  0
 30 62  1  0
 32 63  1  0
 33 64  1  0
 33 65  1  0
 33 66  1  0
 34 67  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      11.225   4.920   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.423   5.888   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.860   5.335   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.100   3.813   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      15.058   6.303   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.495   5.750   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      16.734   4.228   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      17.693   6.718   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      19.130   6.164   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      19.369   4.643   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      20.807   4.090   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      21.046   2.569   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      19.848   1.601   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      22.483   2.016   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      20.327   7.133   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      20.088   8.654   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      21.765   6.579   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      22.962   7.547   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      22.723   9.069   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      23.921  10.037   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      21.286   9.622   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      24.400   6.994   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      24.639   5.473   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0      25.597   7.962   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      27.034   7.409   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      28.232   8.377   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      29.669   7.824   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      30.867   8.792   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      29.909   6.303   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      27.274   5.888   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      26.076   4.920   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      28.711   5.335   0.000  0.00  0.00           C+0
HETATM   33  F   UNK     0      28.951   3.813   0.000  0.00  0.00           F+0
HETATM   34  N   UNK     0      14.818   7.824   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   34                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    9   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   18   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   25   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32                                                            
CONECT   34    5                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   66    0
END

COMPND    HMDB0253396
HETATM    1  C1  UNL     1      -4.810  -1.487  -3.250  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.685  -2.210  -2.293  1.00  0.00           C  
HETATM    3  C3  UNL     1      -5.024  -2.882  -1.155  1.00  0.00           C  
HETATM    4  C4  UNL     1      -6.140  -3.556  -0.329  1.00  0.00           C  
HETATM    5  C5  UNL     1      -4.268  -2.016  -0.214  1.00  0.00           C  
HETATM    6  N1  UNL     1      -5.059  -0.997   0.452  1.00  0.00           N  
HETATM    7  C6  UNL     1      -3.032  -1.442  -0.802  1.00  0.00           C  
HETATM    8  O1  UNL     1      -2.299  -2.175  -1.501  1.00  0.00           O  
HETATM    9  N2  UNL     1      -2.678  -0.091  -0.581  1.00  0.00           N  
HETATM   10  C7  UNL     1      -1.481   0.518  -1.134  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.816   1.803  -1.786  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.449   2.866  -0.974  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.692   3.378   0.167  1.00  0.00           C  
HETATM   14  O2  UNL     1      -1.716   2.961   1.345  1.00  0.00           O  
HETATM   15  O3  UNL     1      -0.837   4.471  -0.104  1.00  0.00           O  
HETATM   16  C11 UNL     1      -0.445   0.642  -0.102  1.00  0.00           C  
HETATM   17  O4  UNL     1      -0.681   0.132   1.034  1.00  0.00           O  
HETATM   18  N3  UNL     1       0.801   1.284  -0.284  1.00  0.00           N  
HETATM   19  C12 UNL     1       1.782   1.316   0.807  1.00  0.00           C  
HETATM   20  C13 UNL     1       3.009   0.663   0.306  1.00  0.00           C  
HETATM   21  O5  UNL     1       3.193   0.524  -0.935  1.00  0.00           O  
HETATM   22  N4  UNL     1       3.983   0.181   1.200  1.00  0.00           N  
HETATM   23  C14 UNL     1       5.189  -0.465   0.693  1.00  0.00           C  
HETATM   24  C15 UNL     1       4.997  -1.976   0.676  1.00  0.00           C  
HETATM   25  C16 UNL     1       4.720  -2.517   2.016  1.00  0.00           C  
HETATM   26  O6  UNL     1       4.646  -1.794   3.028  1.00  0.00           O  
HETATM   27  O7  UNL     1       4.534  -3.888   2.159  1.00  0.00           O  
HETATM   28  C17 UNL     1       6.380  -0.044   1.437  1.00  0.00           C  
HETATM   29  O8  UNL     1       6.304   0.765   2.382  1.00  0.00           O  
HETATM   30  C18 UNL     1       7.711  -0.574   1.081  1.00  0.00           C  
HETATM   31  F1  UNL     1       8.383   0.328   0.256  1.00  0.00           F  
HETATM   32  C19 UNL     1       2.008   2.774   1.152  1.00  0.00           C  
HETATM   33  C20 UNL     1       2.901   2.964   2.357  1.00  0.00           C  
HETATM   34  O9  UNL     1       2.488   3.478   0.075  1.00  0.00           O  
HETATM   35  H1  UNL     1      -4.005  -2.173  -3.652  1.00  0.00           H  
HETATM   36  H2  UNL     1      -4.316  -0.585  -2.902  1.00  0.00           H  
HETATM   37  H3  UNL     1      -5.400  -1.221  -4.166  1.00  0.00           H  
HETATM   38  H4  UNL     1      -6.230  -3.008  -2.877  1.00  0.00           H  
HETATM   39  H5  UNL     1      -6.496  -1.538  -1.942  1.00  0.00           H  
HETATM   40  H6  UNL     1      -4.347  -3.692  -1.482  1.00  0.00           H  
HETATM   41  H7  UNL     1      -7.022  -2.892  -0.420  1.00  0.00           H  
HETATM   42  H8  UNL     1      -5.835  -3.595   0.733  1.00  0.00           H  
HETATM   43  H9  UNL     1      -6.420  -4.535  -0.758  1.00  0.00           H  
HETATM   44  H10 UNL     1      -3.903  -2.698   0.613  1.00  0.00           H  
HETATM   45  H11 UNL     1      -5.215  -0.182  -0.223  1.00  0.00           H  
HETATM   46  H12 UNL     1      -4.544  -0.580   1.257  1.00  0.00           H  
HETATM   47  H13 UNL     1      -3.306   0.503   0.005  1.00  0.00           H  
HETATM   48  H14 UNL     1      -1.070  -0.209  -1.941  1.00  0.00           H  
HETATM   49  H15 UNL     1      -2.452   1.558  -2.702  1.00  0.00           H  
HETATM   50  H16 UNL     1      -0.896   2.267  -2.267  1.00  0.00           H  
HETATM   51  H17 UNL     1      -2.681   3.715  -1.693  1.00  0.00           H  
HETATM   52  H18 UNL     1      -3.472   2.587  -0.605  1.00  0.00           H  
HETATM   53  H19 UNL     1      -1.107   5.368   0.265  1.00  0.00           H  
HETATM   54  H20 UNL     1       1.006   1.728  -1.195  1.00  0.00           H  
HETATM   55  H21 UNL     1       1.400   0.784   1.665  1.00  0.00           H  
HETATM   56  H22 UNL     1       3.886   0.256   2.234  1.00  0.00           H  
HETATM   57  H23 UNL     1       5.300  -0.176  -0.380  1.00  0.00           H  
HETATM   58  H24 UNL     1       4.083  -2.144   0.017  1.00  0.00           H  
HETATM   59  H25 UNL     1       5.853  -2.472   0.189  1.00  0.00           H  
HETATM   60  H26 UNL     1       5.078  -4.398   2.868  1.00  0.00           H  
HETATM   61  H27 UNL     1       8.306  -0.858   1.959  1.00  0.00           H  
HETATM   62  H28 UNL     1       7.568  -1.476   0.419  1.00  0.00           H  
HETATM   63  H29 UNL     1       1.012   3.177   1.422  1.00  0.00           H  
HETATM   64  H30 UNL     1       3.975   3.147   2.081  1.00  0.00           H  
HETATM   65  H31 UNL     1       2.792   2.178   3.114  1.00  0.00           H  
HETATM   66  H32 UNL     1       2.569   3.931   2.845  1.00  0.00           H  
HETATM   67  H33 UNL     1       2.972   4.296   0.341  1.00  0.00           H  
CONECT    1    2   35   36   37
CONECT    2    3   38   39
CONECT    3    4    5   40
CONECT    4   41   42   43
CONECT    5    6    7   44
CONECT    6   45   46
CONECT    7    8    8    9
CONECT    9   10   47
CONECT   10   11   16   48
CONECT   11   12   49   50
CONECT   12   13   51   52
CONECT   13   14   14   15
CONECT   15   53
CONECT   16   17   17   18
CONECT   18   19   54
CONECT   19   20   32   55
CONECT   20   21   21   22
CONECT   22   23   56
CONECT   23   24   28   57
CONECT   24   25   58   59
CONECT   25   26   26   27
CONECT   27   60
CONECT   28   29   29   30
CONECT   30   31   61   62
CONECT   32   33   34   63
CONECT   33   64   65   66
CONECT   34   67
END

HMDB0253396
     RDKit          3D
Ile-Glu-Thr-Asp-fluoromethyl ketone
 67 66  0  0  0  0  0  0  0  0999 V2000
   -4.8095   -1.4871   -3.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6853   -2.2097   -2.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0245   -2.8818   -1.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1400   -3.5561   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2677   -2.0156   -0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0588   -0.9966    0.4516 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0323   -1.4421   -0.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2987   -2.1753   -1.5008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6783   -0.0910   -0.5811 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4813    0.5182   -1.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8161    1.8028   -1.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4491    2.8656   -0.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916    3.3776    0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7165    2.9607    1.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8367    4.4706   -0.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4449    0.6422   -0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808    0.1323    1.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8014    1.2845   -0.2837 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    1.3161    0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0086    0.6632    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1932    0.5242   -0.9353 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9833    0.1814    1.1996 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1888   -0.4645    0.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9967   -1.9758    0.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7201   -2.5170    2.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6461   -1.7940    3.0279 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5340   -3.8878    2.1587 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3803   -0.0436    1.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3041    0.7650    2.3822 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7110   -0.5735    1.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3827    0.3276    0.2561 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0078    2.7741    1.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9008    2.9640    2.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4878    3.4779    0.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0047   -2.1726   -3.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3159   -0.5851   -2.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4002   -1.2205   -4.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2295   -3.0085   -2.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4959   -1.5380   -1.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3470   -3.6918   -1.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0219   -2.8919   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8347   -3.5949    0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4202   -4.5351   -0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9025   -2.6981    0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2146   -0.1821   -0.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5437   -0.5802    1.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3062    0.5027    0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704   -0.2094   -1.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4522    1.5583   -2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8961    2.2671   -2.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6813    3.7155   -1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4718    2.5874   -0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072    5.3676    0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0061    1.7281   -1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    0.7842    1.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858    0.2558    2.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3002   -0.1764   -0.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830   -2.1442    0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530   -2.4719    0.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0779   -4.3980    2.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3057   -0.8580    1.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5676   -1.4758    0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121    3.1770    1.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9753    3.1471    2.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7916    2.1783    3.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694    3.9310    2.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9717    4.2959    0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 10 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 23 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 19 32  1  0
 32 33  1  0
 32 34  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  2 38  1  0
  2 39  1  0
  3 40  1  0
  4 41  1  0
  4 42  1  0
  4 43  1  0
  5 44  1  0
  6 45  1  0
  6 46  1  0
  9 47  1  0
 10 48  1  0
 11 49  1  0
 11 50  1  0
 12 51  1  0
 12 52  1  0
 15 53  1  0
 18 54  1  0
 19 55  1  0
 22 56  1  0
 23 57  1  0
 24 58  1  0
 24 59  1  0
 27 60  1  0
 30 61  1  0
 30 62  1  0
 32 63  1  0
 33 64  1  0
 33 65  1  0
 33 66  1  0
 34 67  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
3-{[2-({2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)-1,3-dihydroxybutylidene]amino}-5-fluoro-4-oxopentanoate	HMDB

Chemical Formula

C₂₀H₃₃FN₄O₉

Average Molecular Weight

492.501

Monoisotopic Molecular Weight

492.223156822

IUPAC Name

3-{2-[2-(2-amino-3-methylpentanamido)-4-carboxybutanamido]-3-hydroxybutanamido}-5-fluoro-4-oxopentanoic acid

Traditional Name

3-{2-[2-(2-amino-3-methylpentanamido)-4-carboxybutanamido]-3-hydroxybutanamido}-5-fluoro-4-oxopentanoic acid

CAS Registry Number

Not Available

SMILES

CCC(C)C(N)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)CF

InChI Identifier

InChI=1S/C20H33FN4O9/c1-4-9(2)16(22)19(33)23-11(5-6-14(28)29)18(32)25-17(10(3)26)20(34)24-12(7-15(30)31)13(27)8-21/h9-12,16-17,26H,4-8,22H2,1-3H3,(H,23,33)(H,24,34)(H,25,32)(H,28,29)(H,30,31)

InChI Key

YZASDHNWFGXPNR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Hybrid peptides

Direct Parent

Hybrid peptides

Alternative Parents

Substituents

Hybrid peptide
Gamma-keto acid
Short-chain keto acid
Hydroxy fatty acid
Halogenated fatty acid
Branched fatty acid
Fatty acyl
Keto acid
Dicarboxylic acid or derivatives
Alpha-haloketone
Amino acid
Secondary alcohol
Ketone
Amino acid or derivatives
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboxylic acid
Carboxylic acid derivative
Carboximidic acid derivative
Carboximidic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Organofluoride
Organohalogen compound
Primary aliphatic amine
Carbonyl group
Amine
Alkyl halide
Alkyl fluoride
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-3.1	ALOGPS
logP	-4.6	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	3.57	ChemAxon
pKa (Strongest Basic)	8.21	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	225.22 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	112.34 m³·mol⁻¹	ChemAxon
Polarizability	47.12 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	216.325	30932474
DeepCCS	[M-H]-	213.962	30932474
DeepCCS	[M-2H]-	246.848	30932474
DeepCCS	[M+Na]+	222.413	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Ile-Glu-Thr-Asp-fluoromethyl ketone	CCC(C)C(N)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)CF	4744.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone	CCC(C)C(N)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)CF	2567.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone	CCC(C)C(N)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)CF	3617.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #1	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3507.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #1	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3454.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #1	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	5711.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #10	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3550.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #10	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3448.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #10	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	5682.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #100	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3597.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #100	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3485.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #100	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5608.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #101	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3748.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #101	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3529.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #101	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	5039.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #102	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3604.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #102	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3501.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #102	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	4972.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #103	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3593.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #103	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3516.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #103	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	4936.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #104	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3623.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #104	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3470.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #104	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	4991.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #105	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3537.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #105	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3544.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #105	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5470.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #106	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3539.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #106	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3505.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #106	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5499.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #107	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3540.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #107	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3474.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #107	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5571.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #108	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3592.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #108	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3591.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #108	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4861.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #109	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3576.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #109	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3611.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #109	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4815.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #11	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O	3581.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #11	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O	3470.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #11	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O	4958.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #110	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3607.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #110	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3573.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #110	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	4866.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #111	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3470.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #111	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3579.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #111	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4755.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #112	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3500.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #112	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3549.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #112	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4805.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #113	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3468.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #113	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3547.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #113	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4765.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #114	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3416.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #114	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3565.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #114	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5371.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #115	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3750.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #115	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3561.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #115	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5061.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #116	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3738.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #116	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3588.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #116	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5017.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #117	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3775.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #117	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3553.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #117	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	5043.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #118	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3643.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #118	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3549.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #118	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4951.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #119	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3673.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #119	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3522.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #119	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4975.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #12	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3467.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #12	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3512.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #12	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	5518.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #120	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3649.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #120	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3516.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #120	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4933.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #121	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3615.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #121	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3529.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #121	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5465.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #122	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3785.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #122	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3569.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #122	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5051.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #123	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3756.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #123	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3589.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #123	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5012.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #124	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3787.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #124	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3545.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #124	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	5070.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #125	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3634.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #125	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3556.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #125	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4947.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #126	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3649.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #126	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3518.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #126	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5004.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #127	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3619.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #127	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3513.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #127	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4966.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #128	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3578.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #128	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3538.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #128	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5458.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #129	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3621.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #129	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3629.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #129	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4840.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #13	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3467.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #13	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3485.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #13	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	5597.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #130	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3644.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #130	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3592.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #130	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4891.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #131	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3607.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #131	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3604.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #131	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4848.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #132	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3494.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #132	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3573.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #132	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4786.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #14	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3496.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #14	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3434.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #14	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	5631.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #15	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3568.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #15	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3569.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #15	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	4835.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #16	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C	3445.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #16	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C	3547.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #16	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C	4772.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #17	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C	3434.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #17	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C	3552.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #17	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C	4720.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #18	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O	3460.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #18	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O	3525.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #18	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O	4787.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #19	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3341.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #19	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3580.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #19	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5405.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #2	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3484.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #2	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3450.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #2	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	5624.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #20	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3364.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #20	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3550.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #20	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5436.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #21	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3375.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #21	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3520.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #21	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5507.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #22	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3620.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #22	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3489.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #22	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	4939.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #23	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3528.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #23	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3508.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #23	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5529.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #24	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3554.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #24	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3476.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #24	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5620.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #25	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3587.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #25	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3443.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #25	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	5617.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #26	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3618.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #26	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3485.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #26	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	4927.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #27	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3523.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #27	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3513.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #27	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5482.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #28	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3537.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #28	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3478.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #28	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5575.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #29	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3556.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #29	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3440.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #29	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	5594.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #3	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C	3465.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #3	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C	3527.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #3	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C	4734.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #30	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3594.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #30	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3576.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #30	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4815.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #31	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3490.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #31	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3553.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #31	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	4745.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #32	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3493.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #32	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3548.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #32	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	4709.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #33	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C	3512.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #33	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C	3525.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #33	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C	4754.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #34	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3428.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #34	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3569.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #34	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5382.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #35	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3438.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #35	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3543.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #35	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5392.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #36	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3472.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #36	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3512.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #36	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5480.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #37	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3707.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #37	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3540.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #37	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	5046.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #38	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3613.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #38	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3514.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #38	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	4975.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #39	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3617.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #39	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3522.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #39	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	4928.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #4	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3346.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #4	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3550.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #4	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	5436.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #40	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3652.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #40	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3485.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #40	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	4962.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #41	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3553.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #41	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3542.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #41	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5511.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #42	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3586.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #42	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3516.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #42	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5522.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #43	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3596.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #43	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3479.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #43	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5593.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #44	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3748.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #44	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3535.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #44	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	5034.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #45	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3606.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #45	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3510.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #45	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	4962.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #46	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3599.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #46	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3521.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #46	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	4923.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #47	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3628.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #47	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3475.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #47	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	4989.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #48	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3539.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #48	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3552.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #48	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5471.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #49	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3548.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #49	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3512.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #49	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5505.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #5	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3371.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #5	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3516.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #5	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	5526.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #50	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3552.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #50	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3473.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #50	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5577.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #51	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3601.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #51	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3596.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #51	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4859.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #52	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3582.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #52	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3612.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #52	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4809.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #53	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3610.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #53	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3573.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #53	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	4869.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #54	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3474.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #54	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3585.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #54	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4746.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #55	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3505.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #55	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3553.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #55	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4804.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #56	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3474.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #56	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3546.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #56	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4760.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #57	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3422.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #57	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3567.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #57	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5377.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #58	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3640.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #58	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3488.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #58	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	4969.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #59	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3538.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #59	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3504.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #59	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5548.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #6	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C	3384.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #6	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C	3497.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #6	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C	5541.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #60	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3562.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #60	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3479.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #60	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5640.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #61	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3601.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #61	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3447.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #61	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	5629.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #62	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3614.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #62	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3478.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #62	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	4930.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #63	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3516.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #63	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3506.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #63	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5477.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #64	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3534.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #64	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3476.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #64	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5570.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #65	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3549.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #65	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3440.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #65	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	5584.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #66	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3594.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #66	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3571.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #66	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4808.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #67	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3476.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #67	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3545.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #67	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	4743.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #68	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3477.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #68	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3546.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #68	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	4715.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #69	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C	3504.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #69	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C	3523.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #69	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C	4749.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #7	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O	3606.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #7	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O	3483.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #7	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O	5003.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #70	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3417.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #70	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3559.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #70	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5375.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #71	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3431.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #71	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3541.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #71	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5382.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #72	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3458.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #72	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3514.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #72	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5469.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #73	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3746.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #73	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3539.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #73	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5012.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #74	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3650.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #74	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3508.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #74	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4942.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #75	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3658.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #75	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3514.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #75	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4918.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #76	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3686.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #76	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3485.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #76	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	4921.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #77	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3602.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #77	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3518.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #77	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5481.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #78	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3629.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #78	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3504.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #78	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5469.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #79	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3659.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #79	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3473.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #79	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5557.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #8	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3495.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #8	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3515.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #8	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	5594.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #80	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3780.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #80	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3538.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #80	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5006.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #81	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3647.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #81	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3512.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #81	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4936.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #82	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3648.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #82	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3514.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #82	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4918.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #83	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3668.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #83	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3478.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #83	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	4953.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #84	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3600.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #84	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3532.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #84	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5446.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #85	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3601.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #85	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3504.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #85	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5456.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #86	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3623.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #86	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3474.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #86	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5545.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #87	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3625.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #87	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3591.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #87	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4831.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #88	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3619.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #88	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3603.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #88	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4803.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #89	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3629.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #89	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3570.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #89	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4833.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #9	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3509.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #9	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3491.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #9	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	5673.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #90	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3526.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #90	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3571.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #90	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4738.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #91	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3540.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #91	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3549.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #91	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4766.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #92	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3531.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #92	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3543.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #92	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4744.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #93	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3489.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #93	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3552.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #93	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5341.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #94	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3731.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #94	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3540.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #94	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	5075.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #95	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3628.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #95	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3509.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #95	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	5009.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #96	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3630.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #96	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3525.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #96	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	4965.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #97	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3665.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #97	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3486.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #97	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	4987.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #98	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3563.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #98	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3542.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #98	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5533.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #99	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3585.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #99	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3512.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,4TMS,isomer #99	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5537.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #1	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3566.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #1	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3519.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #1	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	4634.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #10	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3411.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #10	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3607.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #10	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	4392.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #100	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3647.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #100	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3555.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #100	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4638.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #101	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3653.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #101	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3541.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #101	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4633.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #102	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3670.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #102	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3529.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #102	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4609.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #103	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3641.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #103	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3542.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #103	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5220.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #104	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3761.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #104	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3606.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #104	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4711.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #105	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3753.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #105	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3617.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #105	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4686.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #106	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3746.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #106	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3575.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #106	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4725.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #107	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3641.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #107	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3587.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #107	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4636.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #108	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3622.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #108	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3554.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #108	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4671.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #109	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3637.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #109	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3543.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #109	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4650.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #11	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3411.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #11	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	3603.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #11	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C	4354.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #110	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3596.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #110	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3567.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #110	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5207.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #111	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3635.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #111	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3674.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #111	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4511.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #112	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3638.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #112	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3648.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #112	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4545.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #113	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3625.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #113	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3650.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #113	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4516.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #114	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3530.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #114	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3625.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #114	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4474.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #115	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3718.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #115	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3587.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #115	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4765.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #116	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3707.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #116	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3617.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #116	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4728.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #117	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3728.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #117	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3580.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #117	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	4736.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #118	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3603.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #118	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3580.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #118	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4684.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #119	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3609.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #119	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3554.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #119	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4692.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #12	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C	3416.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #12	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C	3582.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #12	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C	4406.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #120	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3605.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #120	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3546.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #120	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4657.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #121	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3563.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #121	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3562.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #121	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5270.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #122	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3722.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #122	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3604.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #122	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4733.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #123	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3705.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #123	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3628.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #123	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4702.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #124	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3718.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #124	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3580.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #124	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	4749.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #125	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3576.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #125	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3595.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #125	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4656.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #126	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3570.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #126	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3552.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #126	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4703.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #127	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3560.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #127	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3545.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #127	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4672.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #128	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3510.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #128	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3575.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #128	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5234.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #129	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3582.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #129	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3687.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #129	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4527.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #13	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3341.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #13	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3609.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #13	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5159.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #130	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3606.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #130	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3656.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #130	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4572.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #131	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3570.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #131	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3665.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #131	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4536.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #132	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3459.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #132	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3638.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #132	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4499.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #133	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3746.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #133	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3629.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #133	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4744.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #134	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3773.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #134	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3609.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #134	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4754.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #135	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3740.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #135	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3615.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #135	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4715.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #136	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3639.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #136	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3574.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #136	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4669.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #137	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3759.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #137	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3661.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #137	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4740.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #138	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3773.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #138	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3623.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #138	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4789.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #139	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3737.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #139	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3626.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #139	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4754.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #14	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3338.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #14	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3597.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #14	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5170.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #140	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3604.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #140	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3593.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #140	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4706.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #141	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3628.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #141	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3681.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #141	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4587.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #15	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3366.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #15	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3575.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #15	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5246.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #16	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3668.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #16	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3570.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #16	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	4723.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #17	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3560.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #17	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3548.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #17	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	4673.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #18	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3549.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #18	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3557.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #18	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	4628.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #19	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3572.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #19	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3514.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #19	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	4649.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #2	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3465.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #2	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3527.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #2	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5336.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #20	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3478.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #20	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3568.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #20	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5318.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #21	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3479.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #21	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3543.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #21	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5316.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #22	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3501.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #22	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3514.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #22	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5380.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #23	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3664.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #23	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3571.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #23	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	4679.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #24	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3527.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #24	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3546.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #24	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	4628.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #25	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3514.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #25	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	3560.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #25	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C	4594.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #26	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3539.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #26	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	3504.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #26	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O	4652.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #27	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3448.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #27	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3585.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #27	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5244.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #28	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3439.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #28	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3541.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #28	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5270.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #29	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3452.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #29	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3510.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #29	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	5335.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #3	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3482.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #3	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3509.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #3	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5416.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #30	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3535.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #30	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3651.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #30	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4501.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #31	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3521.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #31	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3667.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #31	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4455.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #32	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3538.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #32	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3631.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #32	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	4516.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #33	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3402.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #33	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3644.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #33	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4413.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #34	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3413.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #34	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3617.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #34	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4470.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #35	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3406.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #35	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3608.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #35	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4429.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #36	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3351.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #36	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3625.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #36	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5159.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #37	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3680.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #37	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3563.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #37	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4677.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #38	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3583.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #38	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3539.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #38	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4622.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #39	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3587.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #39	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3538.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #39	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4585.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #4	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3503.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #4	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3473.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #4	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	5404.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #40	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3610.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #40	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3503.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #40	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	4594.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #41	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3531.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #41	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3540.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #41	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5271.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #42	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3541.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #42	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3524.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #42	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5255.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #43	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3583.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #43	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3494.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #43	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5332.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #44	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3701.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #44	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3580.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #44	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4662.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #45	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3570.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #45	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3558.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #45	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4606.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #46	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3569.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #46	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3558.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #46	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4578.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #47	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3587.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #47	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3512.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #47	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	4627.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #48	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3523.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #48	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3570.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #48	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5224.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #49	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3508.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #49	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3539.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #49	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5234.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #5	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3527.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #5	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	3522.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #5	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C	4584.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #50	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3535.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #50	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3508.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #50	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5313.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #51	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3583.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #51	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3651.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #51	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4487.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #52	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3578.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #52	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3658.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #52	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4445.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #53	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3573.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #53	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3623.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #53	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4496.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #54	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3477.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #54	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3635.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #54	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4398.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #55	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3470.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #55	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3611.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #55	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4444.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #56	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3480.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #56	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3600.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #56	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4409.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #57	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3439.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #57	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3610.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #57	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5132.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #58	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3715.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #58	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3589.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #58	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4731.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #59	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3704.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #59	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3613.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #59	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4687.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #6	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3434.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #6	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3543.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #6	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5253.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #60	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3725.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #60	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3576.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #60	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	4707.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #61	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3589.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #61	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3578.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #61	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4642.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #62	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3613.5	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #62	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3554.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #62	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4659.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #63	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3607.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #63	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3540.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #63	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4617.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #64	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3560.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #64	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3559.1	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #64	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5250.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #65	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3727.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #65	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3612.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #65	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4721.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #66	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3711.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #66	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3632.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #66	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4683.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #67	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3720.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #67	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	3581.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #67	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)N([Si](C)(C)C)[Si](C)(C)C	4744.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #68	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3578.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #68	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3604.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #68	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=CF)O[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4637.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #69	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3576.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #69	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3559.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #69	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4694.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #7	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3445.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #7	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3520.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #7	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5335.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #70	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3571.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #70	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	3547.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #70	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C	4657.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #71	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3517.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #71	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3576.2	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #71	CCC(C)C(N)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	5236.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #72	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3588.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #72	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3696.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #72	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)NC(CC(=O)O)C(=O)CF)C(C)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4514.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #73	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3606.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #73	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3661.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #73	CCC(C)C(C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4567.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #74	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3574.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #74	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3664.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #74	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4525.4	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #75	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3458.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #75	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	3642.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #75	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(C(=O)N(C(CC(=O)O)C(=O)CF)[Si](C)(C)C)C(C)O)[Si](C)(C)C)[Si](C)(C)C	4486.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #76	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3697.4	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #76	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3564.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #76	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4708.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #77	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3592.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #77	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3538.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #77	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4657.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #78	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3593.9	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #78	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3540.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #78	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4627.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #79	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3615.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #79	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3508.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #79	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	4624.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #8	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3456.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #8	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3473.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #8	CCC(C)C(N)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	5350.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #80	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3538.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #80	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3542.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #80	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5295.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #81	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3541.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #81	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3528.3	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #81	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5272.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #82	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3581.8	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #82	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3500.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #82	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5349.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #83	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3702.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #83	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3573.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #83	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4670.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #84	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3565.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #84	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3547.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #84	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4618.2	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #85	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3563.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #85	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3551.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #85	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4597.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #86	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3581.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #86	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	3510.4	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #86	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C	4633.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #87	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3515.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #87	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3567.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #87	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5224.1	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #88	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3498.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #88	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3537.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #88	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5229.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #89	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3528.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #89	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3509.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #89	CCC(C)C(N)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	5308.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #9	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3524.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #9	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3624.7	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #9	CCC(C)C(C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4450.3	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #90	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3574.0	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #90	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3640.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #90	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4490.9	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #91	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3569.3	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #91	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3653.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #91	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4456.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #92	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3573.1	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #92	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3622.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #92	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4496.7	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #93	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3467.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #93	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3624.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #93	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CF)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4410.0	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #94	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3463.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #94	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3607.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #94	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4448.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #95	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3475.6	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #95	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	3600.0	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #95	CCC(C)C(N[Si](C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C	4420.8	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #96	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3435.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #96	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3610.9	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #96	CCC(C)C(N)C(=O)N(C(CCC(=O)O)C(=O)N(C(C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CF)[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5129.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #97	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3745.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #97	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3576.5	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #97	CCC(C)C(C(=O)N(C(CCC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4716.6	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #98	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3740.7	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #98	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3593.8	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #98	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)N(C(C(=O)NC(CC(=O)O)=C(CF)O[Si](C)(C)C)C(C)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4686.5	Standard polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #99	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3749.2	Semi standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #99	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3565.6	Standard non polar	33892256
Ile-Glu-Thr-Asp-fluoromethyl ketone,5TMS,isomer #99	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N(C(CC(=O)O)=C(CF)O[Si](C)(C)C)[Si](C)(C)C)C(C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4685.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (Non-derivatized) - 70eV, Positive	splash10-01q1-7335900000-5eefb3c37c1e2580beac	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone 10V, Positive-QTOF	splash10-0006-0001900000-360debdfbe3bbd1a8da2	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone 20V, Positive-QTOF	splash10-002f-2757900000-f56ee39238c303d93d58	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone 40V, Positive-QTOF	splash10-0kg9-9620000000-e237bb7b1cc013392862	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone 10V, Negative-QTOF	splash10-004j-0000900000-e9e16cb18222f3dd1fef	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone 20V, Negative-QTOF	splash10-01rt-2219500000-8a3e922efce336ca766d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ile-Glu-Thr-Asp-fluoromethyl ketone 40V, Negative-QTOF	splash10-0udl-3910000000-3717e8bb3662443ea397	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

156963458

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Ile-Glu-Thr-Asp-fluoromethyl ketone (HMDB0253396)

MOL for HMDB0253396 (Ile-Glu-Thr-Asp-fluoromethyl ketone)

3D MOL for HMDB0253396 (Ile-Glu-Thr-Asp-fluoromethyl ketone)

3D SDF for HMDB0253396 (Ile-Glu-Thr-Asp-fluoromethyl ketone)

3D-SDF for HMDB0253396 (Ile-Glu-Thr-Asp-fluoromethyl ketone)

PDB for HMDB0253396 (Ile-Glu-Thr-Asp-fluoromethyl ketone)

3D PDB for HMDB0253396 (Ile-Glu-Thr-Asp-fluoromethyl ketone)

SMILES for HMDB0253396 (Ile-Glu-Thr-Asp-fluoromethyl ketone)

INCHI for HMDB0253396 (Ile-Glu-Thr-Asp-fluoromethyl ketone)

Structure for HMDB0253396 (Ile-Glu-Thr-Asp-fluoromethyl ketone)

3D Structure for HMDB0253396 (Ile-Glu-Thr-Asp-fluoromethyl ketone)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra