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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 06:29:28 UTC

Update Date

2021-09-26 23:00:44 UTC

HMDB ID

HMDB0249697

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Acetyl-Tyr-Val-Ala-Asp-chloromethylketone

Description

Acetyl-Tyr-Val-Ala-Asp-chloromethylketone, also known as ac-tyr-val-ala-asp-CMK or yvad-CMK, 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 very few articles have been published on Acetyl-Tyr-Val-Ala-Asp-chloromethylketone. This compound has been identified in human blood as reported by (PMID: 31557052 ). Acetyl-tyr-val-ala-asp-chloromethylketone is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Acetyl-Tyr-Val-Ala-Asp-chloromethylketone 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


  Mrv1652309112108292D          

 37 37  0  0  0  0            999 V2000
   10.7171    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1447    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7171    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END

HMDB0249697
     RDKit          3D
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone
 70 70  0  0  0  0  0  0  0  0999 V2000
   -4.6676    5.3856    2.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
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 37 70  1  0
M  END


  Mrv1652309112108292D          

 37 37  0  0  0  0            999 V2000
   10.7171    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0026    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5737    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 30 33  1  0  0  0  0
 25 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0249697

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(C)=O)C(=O)NC(C)C(=O)NC(CC(O)=O)C(=O)CCl

> <INCHI_IDENTIFIER>
InChI=1S/C24H33ClN4O8/c1-12(2)21(24(37)26-13(3)22(35)28-17(10-20(33)34)19(32)11-25)29-23(36)18(27-14(4)30)9-15-5-7-16(31)8-6-15/h5-8,12-13,17-18,21,31H,9-11H2,1-4H3,(H,26,37)(H,27,30)(H,28,35)(H,29,36)(H,33,34)

> <INCHI_KEY>
UOUBHJRCKHLGFB-UHFFFAOYSA-N

> <FORMULA>
C24H33ClN4O8

> <MOLECULAR_WEIGHT>
541.0

> <EXACT_MASS>
540.1986917

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
52.29186185797414

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-chloro-3-(2-{2-[2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido}propanamido)-4-oxopentanoic acid

> <ALOGPS_LOGP>
1.00

> <JCHEM_LOGP>
0.0959919863333333

> <ALOGPS_LOGS>
-4.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.50126768531622

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.014906638400863

> <JCHEM_PKA_STRONGEST_BASIC>
-5.958331586630231

> <JCHEM_POLAR_SURFACE_AREA>
191.0

> <JCHEM_REFRACTIVITY>
131.7685

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.09e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-chloro-3-(2-{2-[2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido}propanamido)-4-oxopentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0249697
     RDKit          3D
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone
 70 70  0  0  0  0  0  0  0  0999 V2000
   -4.6676    5.3856    2.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2291    4.1498    3.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4036    4.2130    4.6676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6818    3.0780    2.7458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1393    2.0144    2.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3066    1.1262    1.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1126   -0.1022    0.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3332   -0.1623   -0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1831   -1.3200   -1.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8011   -2.4807   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6417   -3.6626   -1.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5804   -2.4153    0.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7274   -1.2640    1.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3294    2.3609    0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2772    3.5517    0.5092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5961    1.4171    0.1256 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7617    1.6423   -1.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6358    1.4264   -0.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590    1.5476    0.6702 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434    1.0806   -1.4664 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    0.8712   -1.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286    1.2929   -2.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2237   -0.5887   -0.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374   -1.3465   -0.9106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5123   -1.1161   -0.6062 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7295   -2.5049   -0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6400   -2.7326    0.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1328   -2.1570    2.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0304   -1.5459    2.0445 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8037   -2.2566    3.2748 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3398   -3.1873   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5465   -2.5248   -2.5325 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6751   -4.6206   -1.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3754   -5.1649   -3.0324 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0423    0.9005   -2.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4299    1.2044   -2.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7946   -0.5730   -2.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5344    5.1859    1.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6688    5.6975    2.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9561    6.1869    2.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6616    2.3791    3.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440    1.4003    2.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0239    1.7661    1.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9105    0.9231    2.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6468    0.7403   -0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3477   -1.3974   -2.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8119   -4.0097   -1.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2765   -3.3094    1.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5675   -1.1700    2.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736    0.4191    0.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970    2.7483   -1.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522    0.9445   -2.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2847    1.4240   -0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8353    1.8261   -1.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3170    0.3858   -2.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3751    1.8563   -3.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3256   -0.4460   -0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640   -3.0325   -0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6919   -3.8373    0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6695   -2.3866    0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8187   -2.2062    3.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7605   -5.2133   -1.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4403   -4.7540   -0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3450    1.3118   -3.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3603    1.7884   -3.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9829    1.8787   -2.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9498    0.2817   -3.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7191   -1.0866   -2.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4694   -0.9242   -1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0015   -0.9071   -2.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
  5 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 26 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 17 35  1  0
 35 36  1  0
 35 37  1  0
 13  7  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  8 45  1  0
  9 46  1  0
 11 47  1  0
 12 48  1  0
 13 49  1  0
 16 50  1  0
 17 51  1  0
 20 52  1  0
 21 53  1  0
 22 54  1  0
 22 55  1  0
 22 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 27 60  1  0
 30 61  1  0
 33 62  1  0
 33 63  1  0
 35 64  1  0
 36 65  1  0
 36 66  1  0
 36 67  1  0
 37 68  1  0
 37 69  1  0
 37 70  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      20.005   6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.672   6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      17.338   6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      18.672   4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.338   3.850   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      17.338   2.310   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      16.004   4.620   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      14.670   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.670   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      13.337   6.160   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      12.003   3.850   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   21 Cl   UNK     0       9.336   8.470   0.000  0.00  0.00          Cl+0
HETATM   22  N   UNK     0      20.005   3.850   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      21.339   4.620   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      21.339   6.160   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      22.673   3.850   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      22.673   2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      21.339   1.540   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      21.339   0.000   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      20.005  -0.770   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      18.672   0.000   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      18.672   1.540   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      20.005   2.310   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      17.338  -0.770   0.000  0.00  0.00           O+0
HETATM   34  N   UNK     0      24.006   4.620   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0      24.006   6.160   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      25.340   6.930   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      22.673   6.930   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   22                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   13   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20                                                            
CONECT   22    4   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   34                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31   27                                                       
CONECT   33   30                                                            
CONECT   34   25   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   74    0
END

COMPND    HMDB0249697
HETATM    1  C1  UNL     1      -4.668   5.386   2.619  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.229   4.150   3.433  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.404   4.213   4.668  1.00  0.00           O  
HETATM    4  N1  UNL     1      -3.682   3.078   2.746  1.00  0.00           N  
HETATM    5  C3  UNL     1      -3.139   2.014   2.068  1.00  0.00           C  
HETATM    6  C4  UNL     1      -4.307   1.126   1.681  1.00  0.00           C  
HETATM    7  C5  UNL     1      -4.113  -0.102   0.987  1.00  0.00           C  
HETATM    8  C6  UNL     1      -4.333  -0.162  -0.388  1.00  0.00           C  
HETATM    9  C7  UNL     1      -4.183  -1.320  -1.090  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.801  -2.481  -0.440  1.00  0.00           C  
HETATM   11  O2  UNL     1      -3.642  -3.663  -1.112  1.00  0.00           O  
HETATM   12  C9  UNL     1      -3.580  -2.415   0.939  1.00  0.00           C  
HETATM   13  C10 UNL     1      -3.727  -1.264   1.652  1.00  0.00           C  
HETATM   14  C11 UNL     1      -2.329   2.361   0.874  1.00  0.00           C  
HETATM   15  O3  UNL     1      -2.277   3.552   0.509  1.00  0.00           O  
HETATM   16  N2  UNL     1      -1.596   1.417   0.126  1.00  0.00           N  
HETATM   17  C12 UNL     1      -0.762   1.642  -1.007  1.00  0.00           C  
HETATM   18  C13 UNL     1       0.636   1.426  -0.560  1.00  0.00           C  
HETATM   19  O4  UNL     1       0.959   1.548   0.670  1.00  0.00           O  
HETATM   20  N3  UNL     1       1.643   1.081  -1.466  1.00  0.00           N  
HETATM   21  C14 UNL     1       3.038   0.871  -1.103  1.00  0.00           C  
HETATM   22  C15 UNL     1       3.929   1.293  -2.222  1.00  0.00           C  
HETATM   23  C16 UNL     1       3.224  -0.589  -0.871  1.00  0.00           C  
HETATM   24  O5  UNL     1       2.237  -1.346  -0.911  1.00  0.00           O  
HETATM   25  N4  UNL     1       4.512  -1.116  -0.606  1.00  0.00           N  
HETATM   26  C17 UNL     1       4.730  -2.505  -0.356  1.00  0.00           C  
HETATM   27  C18 UNL     1       5.640  -2.733   0.805  1.00  0.00           C  
HETATM   28  C19 UNL     1       5.133  -2.157   2.074  1.00  0.00           C  
HETATM   29  O6  UNL     1       4.030  -1.546   2.045  1.00  0.00           O  
HETATM   30  O7  UNL     1       5.804  -2.257   3.275  1.00  0.00           O  
HETATM   31  C20 UNL     1       5.340  -3.187  -1.541  1.00  0.00           C  
HETATM   32  O8  UNL     1       5.547  -2.525  -2.533  1.00  0.00           O  
HETATM   33  C21 UNL     1       5.675  -4.621  -1.496  1.00  0.00           C  
HETATM   34 CL1  UNL     1       6.375  -5.165  -3.032  1.00  0.00          CL  
HETATM   35  C22 UNL     1      -1.042   0.900  -2.249  1.00  0.00           C  
HETATM   36  C23 UNL     1      -2.430   1.204  -2.814  1.00  0.00           C  
HETATM   37  C24 UNL     1      -0.795  -0.573  -2.187  1.00  0.00           C  
HETATM   38  H1  UNL     1      -4.534   5.186   1.551  1.00  0.00           H  
HETATM   39  H2  UNL     1      -5.669   5.697   2.926  1.00  0.00           H  
HETATM   40  H3  UNL     1      -3.956   6.187   2.901  1.00  0.00           H  
HETATM   41  H4  UNL     1      -3.662   2.379   3.908  1.00  0.00           H  
HETATM   42  H5  UNL     1      -2.444   1.400   2.728  1.00  0.00           H  
HETATM   43  H6  UNL     1      -5.024   1.766   1.076  1.00  0.00           H  
HETATM   44  H7  UNL     1      -4.911   0.923   2.619  1.00  0.00           H  
HETATM   45  H8  UNL     1      -4.647   0.740  -0.930  1.00  0.00           H  
HETATM   46  H9  UNL     1      -4.348  -1.397  -2.153  1.00  0.00           H  
HETATM   47  H10 UNL     1      -2.812  -4.010  -1.541  1.00  0.00           H  
HETATM   48  H11 UNL     1      -3.276  -3.309   1.500  1.00  0.00           H  
HETATM   49  H12 UNL     1      -3.567  -1.170   2.709  1.00  0.00           H  
HETATM   50  H13 UNL     1      -1.674   0.419   0.457  1.00  0.00           H  
HETATM   51  H14 UNL     1      -0.797   2.748  -1.290  1.00  0.00           H  
HETATM   52  H15 UNL     1       1.452   0.944  -2.487  1.00  0.00           H  
HETATM   53  H16 UNL     1       3.285   1.424  -0.161  1.00  0.00           H  
HETATM   54  H17 UNL     1       4.835   1.826  -1.900  1.00  0.00           H  
HETATM   55  H18 UNL     1       4.317   0.386  -2.777  1.00  0.00           H  
HETATM   56  H19 UNL     1       3.375   1.856  -3.021  1.00  0.00           H  
HETATM   57  H20 UNL     1       5.326  -0.446  -0.603  1.00  0.00           H  
HETATM   58  H21 UNL     1       3.764  -3.033  -0.203  1.00  0.00           H  
HETATM   59  H22 UNL     1       5.692  -3.837   0.958  1.00  0.00           H  
HETATM   60  H23 UNL     1       6.670  -2.387   0.603  1.00  0.00           H  
HETATM   61  H24 UNL     1       6.819  -2.206   3.303  1.00  0.00           H  
HETATM   62  H25 UNL     1       4.761  -5.213  -1.262  1.00  0.00           H  
HETATM   63  H26 UNL     1       6.440  -4.754  -0.678  1.00  0.00           H  
HETATM   64  H27 UNL     1      -0.345   1.312  -3.041  1.00  0.00           H  
HETATM   65  H28 UNL     1      -2.360   1.788  -3.770  1.00  0.00           H  
HETATM   66  H29 UNL     1      -2.983   1.879  -2.130  1.00  0.00           H  
HETATM   67  H30 UNL     1      -2.950   0.282  -3.085  1.00  0.00           H  
HETATM   68  H31 UNL     1      -1.719  -1.087  -2.569  1.00  0.00           H  
HETATM   69  H32 UNL     1      -0.469  -0.924  -1.199  1.00  0.00           H  
HETATM   70  H33 UNL     1      -0.001  -0.907  -2.921  1.00  0.00           H  
CONECT    1    2   38   39   40
CONECT    2    3    3    4
CONECT    4    5   41
CONECT    5    6   14   42
CONECT    6    7   43   44
CONECT    7    8    8   13
CONECT    8    9   45
CONECT    9   10   10   46
CONECT   10   11   12
CONECT   11   47
CONECT   12   13   13   48
CONECT   13   49
CONECT   14   15   15   16
CONECT   16   17   50
CONECT   17   18   35   51
CONECT   18   19   19   20
CONECT   20   21   52
CONECT   21   22   23   53
CONECT   22   54   55   56
CONECT   23   24   24   25
CONECT   25   26   57
CONECT   26   27   31   58
CONECT   27   28   59   60
CONECT   28   29   29   30
CONECT   30   61
CONECT   31   32   32   33
CONECT   33   34   62   63
CONECT   35   36   37   64
CONECT   36   65   66   67
CONECT   37   68   69   70
END

HMDB0249697
     RDKit          3D
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone
 70 70  0  0  0  0  0  0  0  0999 V2000
   -4.6676    5.3856    2.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2291    4.1498    3.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4036    4.2130    4.6676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6818    3.0780    2.7458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1393    2.0144    2.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3066    1.1262    1.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1126   -0.1022    0.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3332   -0.1623   -0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1831   -1.3200   -1.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8011   -2.4807   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6417   -3.6626   -1.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5804   -2.4153    0.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7274   -1.2640    1.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3294    2.3609    0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2772    3.5517    0.5092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5961    1.4171    0.1256 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7617    1.6423   -1.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6358    1.4264   -0.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590    1.5476    0.6702 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434    1.0806   -1.4664 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    0.8712   -1.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286    1.2929   -2.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2237   -0.5887   -0.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374   -1.3465   -0.9106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5123   -1.1161   -0.6062 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7295   -2.5049   -0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6400   -2.7326    0.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1328   -2.1570    2.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0304   -1.5459    2.0445 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8037   -2.2566    3.2748 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3398   -3.1873   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5465   -2.5248   -2.5325 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6751   -4.6206   -1.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3754   -5.1649   -3.0324 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0423    0.9005   -2.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4299    1.2044   -2.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7946   -0.5730   -2.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5344    5.1859    1.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6688    5.6975    2.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9561    6.1869    2.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6616    2.3791    3.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440    1.4003    2.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0239    1.7661    1.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9105    0.9231    2.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6468    0.7403   -0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3477   -1.3974   -2.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8119   -4.0097   -1.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2765   -3.3094    1.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5675   -1.1700    2.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736    0.4191    0.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970    2.7483   -1.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522    0.9445   -2.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2847    1.4240   -0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8353    1.8261   -1.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3170    0.3858   -2.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3751    1.8563   -3.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3256   -0.4460   -0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640   -3.0325   -0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6919   -3.8373    0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6695   -2.3866    0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8187   -2.2062    3.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7605   -5.2133   -1.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4403   -4.7540   -0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3450    1.3118   -3.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3603    1.7884   -3.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9829    1.8787   -2.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9498    0.2817   -3.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7191   -1.0866   -2.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4694   -0.9242   -1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0015   -0.9071   -2.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
  5 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 26 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 17 35  1  0
 35 36  1  0
 35 37  1  0
 13  7  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  8 45  1  0
  9 46  1  0
 11 47  1  0
 12 48  1  0
 13 49  1  0
 16 50  1  0
 17 51  1  0
 20 52  1  0
 21 53  1  0
 22 54  1  0
 22 55  1  0
 22 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 27 60  1  0
 30 61  1  0
 33 62  1  0
 33 63  1  0
 35 64  1  0
 36 65  1  0
 36 66  1  0
 36 67  1  0
 37 68  1  0
 37 69  1  0
 37 70  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Ac-tyr-val-ala-asp-CMK	MeSH
N-Acetyl-tyrosinyl-valinyl-alanyl-aspartyl chloromethyl ketone	MeSH
N-Acetyl-tyrosyl-valyl-alanyl-aspartyl chloromethyl ketone	MeSH
N-Acetyltyrosinylvalinylalanylaspartylchloromethyl ketone	MeSH
YVAD-CMK	MeSH
YVAD-chloromethylketone	MeSH

Chemical Formula

C₂₄H₃₃ClN₄O₈

Average Molecular Weight

541.0

Monoisotopic Molecular Weight

540.1986917

IUPAC Name

5-chloro-3-(2-{2-[2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido}propanamido)-4-oxopentanoic acid

Traditional Name

5-chloro-3-(2-{2-[2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido}propanamido)-4-oxopentanoic acid

CAS Registry Number

Not Available

SMILES

CC(C)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(C)=O)C(=O)NC(C)C(=O)NC(CC(O)=O)C(=O)CCl

InChI Identifier

InChI=1S/C24H33ClN4O8/c1-12(2)21(24(37)26-13(3)22(35)28-17(10-20(33)34)19(32)11-25)29-23(36)18(27-14(4)30)9-15-5-7-16(31)8-6-15/h5-8,12-13,17-18,21,31H,9-11H2,1-4H3,(H,26,37)(H,27,30)(H,28,35)(H,29,36)(H,33,34)

InChI Key

UOUBHJRCKHLGFB-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
Tyrosine or derivatives
Phenylalanine or derivatives
N-acyl-alpha amino acid or derivatives
Valine or derivatives
Alpha-amino acid amide
Alanine or derivatives
Beta amino acid or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
Gamma-keto acid
1-hydroxy-2-unsubstituted benzenoid
Phenol
N-acyl-amine
Keto acid
Monocyclic benzene moiety
Benzenoid
Fatty acyl
Fatty amide
Acetamide
Alpha-haloketone
Alpha-chloroketone
Secondary carboxylic acid amide
Carboxamide group
Ketone
Carboxylic acid
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organochloride
Organonitrogen compound
Organooxygen compound
Alkyl halide
Carbonyl group
Alkyl chloride
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organohalogen compound
Organic nitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (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	1	ALOGPS
logP	0.096	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	4.01	ChemAxon
pKa (Strongest Basic)	-6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	191 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	131.77 m³·mol⁻¹	ChemAxon
Polarizability	52.29 Å³	ChemAxon
Number of Rings	1	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]+	215.489	30932474
DeepCCS	[M-H]-	213.093	30932474
DeepCCS	[M-2H]-	245.977	30932474
DeepCCS	[M+Na]+	221.401	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone	CC(C)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(C)=O)C(=O)NC(C)C(=O)NC(CC(O)=O)C(=O)CCl	5328.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone	CC(C)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(C)=O)C(=O)NC(C)C(=O)NC(CC(O)=O)C(=O)CCl	2723.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone	CC(C)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(C)=O)C(=O)NC(C)C(=O)NC(CC(O)=O)C(=O)CCl	4257.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #1	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C	4099.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #1	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C	3687.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #1	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C	5502.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #10	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	4106.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #10	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3651.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #10	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5473.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	4016.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3747.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5410.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #12	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	4010.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #12	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3727.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #12	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5369.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	4022.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3750.3	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5383.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	4024.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3693.3	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5411.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #15	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CCl)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3911.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #15	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CCl)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3807.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #15	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CCl)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5290.7	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #16	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3958.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #16	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3845.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #16	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5300.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #17	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3958.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #17	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3814.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #17	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5318.7	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #18	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3927.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #18	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3835.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #18	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5257.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #19	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3917.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #19	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3797.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #19	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5271.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #2	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C	3994.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #2	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C	3697.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #2	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C	5395.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #20	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3958.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #20	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3809.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #20	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C	5291.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	4010.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3715.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5658.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #22	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3991.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #22	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3719.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #22	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5616.3	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #23	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	4008.2	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #23	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3744.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #23	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5628.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	4006.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3645.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5640.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #25	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3922.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #25	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3730.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #25	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5550.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #26	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3923.2	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #26	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3722.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #26	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5509.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #27	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3933.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #27	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3746.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #27	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5524.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #28	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3926.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #28	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3681.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #28	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5552.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #29	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3840.5	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #29	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3807.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #29	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5387.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #3	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C	3953.8	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #3	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C	3791.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #3	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C	5305.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #30	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3869.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #30	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3846.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #30	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5395.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #31	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3869.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #31	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3816.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #31	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5416.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #32	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3848.5	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #32	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3841.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #32	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5349.7	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #33	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3846.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #33	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3804.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #33	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5366.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3874.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3814.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C	5387.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3975.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3742.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5601.7	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #36	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4025.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #36	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3782.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #36	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5608.7	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #37	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4023.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #37	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3703.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #37	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5619.3	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #38	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3997.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #38	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3785.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #38	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5567.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #39	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3985.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #39	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3715.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #39	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5572.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C	3927.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C	3773.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C	5252.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #40	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	4033.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #40	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3713.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #40	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	5587.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #41	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3945.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #41	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3760.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #41	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5523.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #42	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3971.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #42	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3797.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #42	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5533.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #43	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3965.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #43	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3744.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #43	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5564.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #44	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3955.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #44	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3796.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #44	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5492.3	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #45	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3938.8	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #45	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3739.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #45	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5518.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #46	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3975.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #46	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3751.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #46	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	5534.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #47	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3874.8	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #47	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3881.3	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #47	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5379.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #48	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3842.5	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #48	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3841.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #48	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5395.7	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #49	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3861.5	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #49	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3865.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #49	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5362.4	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C	3937.2	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C	3797.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C	5274.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #50	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3887.5	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #50	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3866.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #50	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5407.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #6	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C	3956.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #6	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C	3769.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #6	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C	5294.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #7	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	4100.5	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #7	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3718.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #7	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5495.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	4064.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3708.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5453.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	4099.8	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3739.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5466.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #1	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	4075.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #1	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3712.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #1	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5142.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #10	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3896.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #10	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3861.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #10	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4931.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3916.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3833.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4941.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #12	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3886.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #12	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3856.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #12	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4872.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3898.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3824.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4877.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3910.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3836.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C	4912.3	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #15	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4034.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #15	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3733.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #15	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5124.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #16	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4072.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #16	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3779.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #16	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5144.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #17	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4074.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #17	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3694.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #17	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5135.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #18	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4050.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #18	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3779.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #18	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5091.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #19	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4044.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #19	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3702.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #19	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5077.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #2	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	4052.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #2	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3711.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #2	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5083.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #20	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	4069.8	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #20	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3698.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #20	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	5104.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3994.2	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3772.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5059.3	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #22	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3973.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #22	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3810.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #22	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5080.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #23	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3987.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #23	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3750.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #23	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5098.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #24	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3982.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #24	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3806.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #24	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5029.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #25	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3977.2	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #25	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3746.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #25	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5042.3	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #26	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3991.5	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #26	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3756.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #26	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	5068.7	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #27	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3925.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #27	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3901.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #27	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4939.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #28	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3906.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #28	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3868.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #28	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4945.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #29	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3943.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #29	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3891.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #29	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4967.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #3	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	4059.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #3	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3740.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #3	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5114.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #30	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3914.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #30	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3889.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #30	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4912.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #31	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3965.8	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #31	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3733.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #31	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5228.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #32	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3985.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #32	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3775.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #32	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5242.4	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #33	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3982.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #33	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3687.3	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #33	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5239.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3972.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3781.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5195.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #35	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3954.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #35	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3704.3	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #35	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5186.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #36	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3978.2	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #36	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3697.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #36	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	5207.3	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #37	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3892.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #37	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3758.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #37	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5148.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #38	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3879.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #38	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3798.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #38	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5162.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #39	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3887.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #39	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3723.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #39	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5179.4	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	4053.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3638.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5107.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #40	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3892.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #40	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3802.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #40	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5117.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #41	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3886.8	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #41	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3730.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #41	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5129.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #42	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3901.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #42	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3734.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #42	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	5149.4	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #43	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3852.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #43	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3891.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #43	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4999.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #44	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3834.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #44	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3858.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #44	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5007.4	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #45	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3872.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #45	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3879.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #45	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5029.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #46	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3841.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #46	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3885.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #46	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4971.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #47	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3981.8	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #47	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3814.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #47	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5216.4	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #48	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3969.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #48	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3742.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #48	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5207.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #49	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4011.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #49	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3755.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #49	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5220.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #5	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3933.2	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #5	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3737.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #5	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5055.7	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #50	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3980.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #50	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3770.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #50	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5173.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #51	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3957.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #51	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3847.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #51	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5159.7	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #52	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3926.2	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #52	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3786.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #52	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5174.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #53	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3971.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #53	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3806.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #53	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5187.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #54	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3931.8	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #54	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3817.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #54	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5142.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #55	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3892.5	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #55	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3925.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #55	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5039.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #6	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3937.8	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #6	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3728.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #6	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	4998.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #7	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3924.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #7	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3755.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #7	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5030.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3931.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3684.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C)C(=CCl)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5045.4	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #9	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3889.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #9	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3825.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,4TMS,isomer #9	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4904.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #1	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C	4847.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #1	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C	4098.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #1	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C	5424.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #10	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4840.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #10	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4083.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #10	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5391.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4725.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4193.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5358.4	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #12	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4777.5	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #12	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4155.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #12	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5308.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4782.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4196.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5335.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4776.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4161.3	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5352.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #15	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CCl)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4673.5	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #15	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CCl)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4253.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #15	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CCl)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5247.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #16	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4707.5	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #16	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4297.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #16	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5255.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #17	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4696.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #17	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4262.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #17	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5268.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #18	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4711.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #18	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4283.3	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #18	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5213.3	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #19	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4725.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #19	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4236.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #19	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5212.7	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #2	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C	4750.8	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #2	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C	4150.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #2	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C	5337.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #20	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4708.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #20	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4264.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #20	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5249.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4676.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4119.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5490.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #22	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4716.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #22	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4104.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #22	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5446.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #23	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4705.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #23	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4150.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #23	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5465.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4699.5	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4073.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5455.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #25	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4591.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #25	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4176.9	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #25	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5416.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #26	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4617.2	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #26	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4147.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #26	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5372.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #27	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4628.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #27	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4187.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #27	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5392.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #28	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4631.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #28	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4146.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #28	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5410.4	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #29	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4562.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #29	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4246.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #29	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5298.3	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #3	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C(C)(C)C	4662.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #3	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C(C)(C)C	4252.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #3	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C(C)(C)C	5252.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #30	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4591.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #30	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4289.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #30	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5302.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #31	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4592.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #31	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4257.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #31	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5316.3	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #32	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4588.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #32	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4282.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #32	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5262.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #33	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4614.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #33	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4236.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #33	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5263.3	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4593.2	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4263.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5298.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4691.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4129.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5479.7	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #36	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4706.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #36	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4184.3	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #36	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5480.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #37	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4709.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #37	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4130.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #37	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5470.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #38	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4715.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #38	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4180.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #38	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5447.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #39	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4731.4	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #39	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4115.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #39	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5422.7	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C(C)(C)C	4724.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C(C)(C)C	4222.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)C(C)C)[Si](C)(C)C(C)(C)C	5196.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #40	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4712.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #40	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4146.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #40	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5450.9	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #41	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4632.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #41	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4187.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #41	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5419.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #42	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4668.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #42	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4233.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #42	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5419.8	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #43	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4656.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #43	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4200.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #43	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5441.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #44	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4658.0	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #44	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4225.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #44	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5388.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #45	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4669.9	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #45	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4174.6	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #45	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5396.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #46	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4660.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #46	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4207.1	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #46	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5423.5	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #47	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4603.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #47	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4313.3	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #47	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5317.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #48	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4595.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #48	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4265.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #48	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5320.1	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #49	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4611.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #49	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4296.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #49	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5299.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C	4727.1	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C	4254.4	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C	5227.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #50	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4601.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #50	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4303.0	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #50	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CC(=O)O)C(=O)CCl)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5334.0	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #6	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C	4725.3	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #6	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C	4225.2	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #6	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)CCl)[Si](C)(C)C(C)(C)C)C(C)C	5237.2	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #7	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4788.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #7	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4132.7	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #7	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5430.6	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4852.6	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4104.8	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5379.3	Standard polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4843.7	Semi standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4155.5	Standard non polar	33892256
Acetyl-Tyr-Val-Ala-Asp-chloromethylketone,3TBDMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(C)C(=O)NC(CC(=O)O)=C(CCl)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5405.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-11-03	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 - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone 10V, Positive-QTOF	splash10-0a6r-0986130000-d41c02c83dafba62a361	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone 20V, Positive-QTOF	splash10-01dr-3951000000-3e4ae8da877c9a7ab67d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone 40V, Positive-QTOF	splash10-0l0g-4910000000-21e8d0aeafb632743aff	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone 10V, Negative-QTOF	splash10-0a4i-0000910000-f6b19c87f9229785cd11	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone 20V, Negative-QTOF	splash10-053r-9623700000-e55175fe6234713faee7	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acetyl-Tyr-Val-Ala-Asp-chloromethylketone 40V, Negative-QTOF	splash10-0536-9400000000-521925c3e5959353eb34	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

3591

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3722

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 Acetyl-Tyr-Val-Ala-Asp-chloromethylketone (HMDB0249697)

MOL for HMDB0249697 (Acetyl-Tyr-Val-Ala-Asp-chloromethylketone)

3D MOL for HMDB0249697 (Acetyl-Tyr-Val-Ala-Asp-chloromethylketone)

3D SDF for HMDB0249697 (Acetyl-Tyr-Val-Ala-Asp-chloromethylketone)

3D-SDF for HMDB0249697 (Acetyl-Tyr-Val-Ala-Asp-chloromethylketone)

PDB for HMDB0249697 (Acetyl-Tyr-Val-Ala-Asp-chloromethylketone)

3D PDB for HMDB0249697 (Acetyl-Tyr-Val-Ala-Asp-chloromethylketone)

SMILES for HMDB0249697 (Acetyl-Tyr-Val-Ala-Asp-chloromethylketone)

INCHI for HMDB0249697 (Acetyl-Tyr-Val-Ala-Asp-chloromethylketone)

Structure for HMDB0249697 (Acetyl-Tyr-Val-Ala-Asp-chloromethylketone)

3D Structure for HMDB0249697 (Acetyl-Tyr-Val-Ala-Asp-chloromethylketone)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra