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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 11:50:05 UTC

Update Date

2021-09-26 23:06:34 UTC

HMDB ID

HMDB0253397

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Ile-Ile-Ala-Glu-Lys

Description

Ile-Ile-Ala-Glu-Lys belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Based on a literature review a small amount of articles have been published on Ile-Ile-Ala-Glu-Lys. This compound has been identified in human blood as reported by (PMID: 31557052 ). Ile-ile-ala-glu-lys is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Ile-Ile-Ala-Glu-Lys is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

  Mrv1652309112113502D          

 40 39  0  0  0  0            999 V2000
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   11.1375    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 37 39  1  0  0  0  0
  5 40  1  0  0  0  0
M  END

HMDB0253397
     RDKit          3D
Ile-Ile-Ala-Glu-Lys
 88 87  0  0  0  0  0  0  0  0999 V2000
    7.6632   -0.0364    1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

  Mrv1652309112113502D          

 40 39  0  0  0  0            999 V2000
   10.4230    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2822    6.4302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    7.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112    8.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112    8.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    9.3177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4256    9.3177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112    5.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4256    6.8427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1401    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8546    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5690    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2835    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9980    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7124    6.8427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1401    5.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8546    5.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4256    5.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5664    5.6052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
  5 40  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0253397

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C26H48N6O8/c1-6-14(3)20(28)24(37)32-21(15(4)7-2)25(38)29-16(5)22(35)30-17(11-12-19(33)34)23(36)31-18(26(39)40)10-8-9-13-27/h14-18,20-21H,6-13,27-28H2,1-5H3,(H,29,38)(H,30,35)(H,31,36)(H,32,37)(H,33,34)(H,39,40)

> <INCHI_KEY>
LMAFCBRBDQCUTK-UHFFFAOYSA-N

> <FORMULA>
C26H48N6O8

> <MOLECULAR_WEIGHT>
572.704

> <EXACT_MASS>
572.35336253

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
61.06491355917359

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-amino-2-(2-{2-[2-(2-amino-3-methylpentanamido)-3-methylpentanamido]propanamido}-4-carboxybutanamido)hexanoic acid

> <ALOGPS_LOGP>
-1.93

> <JCHEM_LOGP>
-5.072364261594071

> <ALOGPS_LOGS>
-3.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.9005364919202363

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2229090397514937

> <JCHEM_PKA_STRONGEST_BASIC>
10.202385690924807

> <JCHEM_POLAR_SURFACE_AREA>
243.04000000000002

> <JCHEM_REFRACTIVITY>
144.9827

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.10e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-amino-2-(2-{2-[2-(2-amino-3-methylpentanamido)-3-methylpentanamido]propanamido}-4-carboxybutanamido)hexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0253397
     RDKit          3D
Ile-Ile-Ala-Glu-Lys
 88 87  0  0  0  0  0  0  0  0999 V2000
    7.6632   -0.0364    1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2666   -0.5308    1.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754   -2.0127    1.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2074   -2.6411    2.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8295   -2.5879    2.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564   -4.0220    1.8121 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7291   -1.9840    1.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5076   -0.7673    1.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9614   -2.6947    0.3737 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -2.1209   -0.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3692   -0.9590    0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1392   -1.1692    1.5810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241    0.3395   -0.1150 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6226    1.3708    0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6903    2.4121    0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    1.9412    0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784    1.4420   -0.8002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2894    2.9924    0.9430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5570    3.5086    0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2902    4.1168   -0.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3503    4.7444   -1.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0388    5.8523   -1.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7054    6.1989    0.0481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0776    6.5506   -1.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5568    2.4592    0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2822    1.5699    1.4533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7647    2.2807   -0.1349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6455    1.1814    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3366   -0.1366   -0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0544   -0.7963   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9784   -2.1547   -0.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0836   -3.0650   -0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0274   -3.3001    1.1383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9450    1.2195    1.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5491    2.0906    2.4304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7423    0.1979    2.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1853   -2.0853   -1.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3804   -1.2255   -2.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781   -2.0985   -2.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -1.0271   -2.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8018    0.0610    0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8166    1.0008    1.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4685   -0.6570    1.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0080   -0.2659    2.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6098    0.0083    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3979   -2.2584    0.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7311   -3.4234    3.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0351   -3.0682    2.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6136   -1.8872    3.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6639   -2.4057    3.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6294   -4.3002    1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7682   -4.5939    2.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1874   -3.7149    0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0052   -2.8886   -0.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998    0.6415   -1.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4637    0.8741    1.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2475    2.2772    1.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4028    2.3323    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554    3.4552    1.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401    3.3948    1.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9039    4.3543    1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5270    4.9595   -0.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6868    3.3880   -1.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7286    5.3094   -2.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9508    4.0830   -2.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1823    7.5396   -1.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0597    2.9776   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6882    1.4509   -0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2017   -0.8115   -0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4243   -0.0268   -1.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1640   -0.2563   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9883   -0.9342    1.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0073   -2.6404   -0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1089   -1.9838   -1.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8796   -4.0667   -0.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0797   -2.7742   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4783   -4.2029    1.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3768   -2.4808    1.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7362    0.2627    2.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -3.1686   -1.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1593   -0.1689   -2.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6801   -1.5989   -3.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2612   -1.4577   -1.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100   -3.1323   -3.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7739   -2.0230   -3.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -1.2313   -3.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551   -0.0272   -3.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4204   -0.9753   -2.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 19 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 28 34  1  0
 34 35  2  0
 34 36  1  0
 10 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  2 45  1  0
  3 46  1  0
  4 47  1  0
  4 48  1  0
  4 49  1  0
  5 50  1  0
  6 51  1  0
  6 52  1  0
  9 53  1  0
 10 54  1  0
 13 55  1  0
 14 56  1  0
 15 57  1  0
 15 58  1  0
 15 59  1  0
 18 60  1  0
 19 61  1  0
 20 62  1  0
 20 63  1  0
 21 64  1  0
 21 65  1  0
 24 66  1  0
 27 67  1  0
 28 68  1  0
 29 69  1  0
 29 70  1  0
 30 71  1  0
 30 72  1  0
 31 73  1  0
 31 74  1  0
 32 75  1  0
 32 76  1  0
 33 77  1  0
 33 78  1  0
 36 79  1  0
 37 80  1  0
 38 81  1  0
 38 82  1  0
 38 83  1  0
 39 84  1  0
 39 85  1  0
 40 86  1  0
 40 87  1  0
 40 88  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      19.456  12.773   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      20.790  12.003   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      22.124  12.773   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      22.124  14.313   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      23.457  12.003   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      24.791  12.773   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      24.791  14.313   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      26.125  12.003   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      27.458  12.773   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      27.458  14.313   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      28.792  15.083   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      26.125  15.083   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      26.125  16.623   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      28.792  12.003   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      28.792  10.463   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      30.126  12.773   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      31.459  12.003   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      31.459  10.463   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      32.793  12.773   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      32.793  14.313   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0      34.127  12.003   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      35.460  12.773   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      35.460  14.313   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      36.794  15.083   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      36.794  16.623   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      35.460  17.393   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      38.128  17.393   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      36.794  12.003   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      36.794  10.463   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0      38.128  12.773   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      39.462  12.003   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      40.795  12.773   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      42.129  12.003   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      43.463  12.773   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      44.796  12.003   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0      46.130  12.773   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0      39.462  10.463   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      40.795   9.693   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      38.128   9.693   0.000  0.00  0.00           O+0
HETATM   40  N   UNK     0      23.457  10.463   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   40                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12                                                            
CONECT   14    9   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   28                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   22   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   31   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40    5                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   78    0
END

COMPND    HMDB0253397
HETATM    1  C1  UNL     1       7.663  -0.036   1.559  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.267  -0.531   1.880  1.00  0.00           C  
HETATM    3  C3  UNL     1       6.175  -2.013   1.673  1.00  0.00           C  
HETATM    4  C4  UNL     1       7.207  -2.641   2.619  1.00  0.00           C  
HETATM    5  C5  UNL     1       4.830  -2.588   2.070  1.00  0.00           C  
HETATM    6  N1  UNL     1       4.856  -4.022   1.812  1.00  0.00           N  
HETATM    7  C6  UNL     1       3.729  -1.984   1.298  1.00  0.00           C  
HETATM    8  O1  UNL     1       3.508  -0.767   1.511  1.00  0.00           O  
HETATM    9  N2  UNL     1       2.961  -2.695   0.374  1.00  0.00           N  
HETATM   10  C7  UNL     1       1.850  -2.121  -0.409  1.00  0.00           C  
HETATM   11  C8  UNL     1       1.369  -0.959   0.325  1.00  0.00           C  
HETATM   12  O2  UNL     1       1.139  -1.169   1.581  1.00  0.00           O  
HETATM   13  N3  UNL     1       1.124   0.339  -0.115  1.00  0.00           N  
HETATM   14  C9  UNL     1       0.623   1.371   0.804  1.00  0.00           C  
HETATM   15  C10 UNL     1       1.690   2.412   0.967  1.00  0.00           C  
HETATM   16  C11 UNL     1      -0.649   1.941   0.257  1.00  0.00           C  
HETATM   17  O3  UNL     1      -1.078   1.442  -0.800  1.00  0.00           O  
HETATM   18  N4  UNL     1      -1.289   2.992   0.943  1.00  0.00           N  
HETATM   19  C12 UNL     1      -2.557   3.509   0.342  1.00  0.00           C  
HETATM   20  C13 UNL     1      -2.290   4.117  -0.959  1.00  0.00           C  
HETATM   21  C14 UNL     1      -3.350   4.744  -1.774  1.00  0.00           C  
HETATM   22  C15 UNL     1      -4.039   5.852  -1.106  1.00  0.00           C  
HETATM   23  O4  UNL     1      -3.705   6.199   0.048  1.00  0.00           O  
HETATM   24  O5  UNL     1      -5.078   6.551  -1.730  1.00  0.00           O  
HETATM   25  C16 UNL     1      -3.557   2.459   0.535  1.00  0.00           C  
HETATM   26  O6  UNL     1      -3.282   1.570   1.453  1.00  0.00           O  
HETATM   27  N5  UNL     1      -4.765   2.281  -0.135  1.00  0.00           N  
HETATM   28  C17 UNL     1      -5.646   1.181   0.181  1.00  0.00           C  
HETATM   29  C18 UNL     1      -5.337  -0.137  -0.388  1.00  0.00           C  
HETATM   30  C19 UNL     1      -4.054  -0.796  -0.057  1.00  0.00           C  
HETATM   31  C20 UNL     1      -3.978  -2.155  -0.752  1.00  0.00           C  
HETATM   32  C21 UNL     1      -5.084  -3.065  -0.301  1.00  0.00           C  
HETATM   33  N6  UNL     1      -5.027  -3.300   1.138  1.00  0.00           N  
HETATM   34  C22 UNL     1      -5.945   1.219   1.635  1.00  0.00           C  
HETATM   35  O7  UNL     1      -5.549   2.091   2.430  1.00  0.00           O  
HETATM   36  O8  UNL     1      -6.742   0.198   2.193  1.00  0.00           O  
HETATM   37  C23 UNL     1       2.185  -2.085  -1.816  1.00  0.00           C  
HETATM   38  C24 UNL     1       3.380  -1.226  -2.208  1.00  0.00           C  
HETATM   39  C25 UNL     1       1.178  -2.098  -2.885  1.00  0.00           C  
HETATM   40  C26 UNL     1       0.169  -1.027  -2.973  1.00  0.00           C  
HETATM   41  H1  UNL     1       7.802   0.061   0.468  1.00  0.00           H  
HETATM   42  H2  UNL     1       7.817   1.001   1.979  1.00  0.00           H  
HETATM   43  H3  UNL     1       8.469  -0.657   1.943  1.00  0.00           H  
HETATM   44  H4  UNL     1       6.008  -0.266   2.912  1.00  0.00           H  
HETATM   45  H5  UNL     1       5.610   0.008   1.127  1.00  0.00           H  
HETATM   46  H6  UNL     1       6.398  -2.258   0.626  1.00  0.00           H  
HETATM   47  H7  UNL     1       6.731  -3.423   3.280  1.00  0.00           H  
HETATM   48  H8  UNL     1       8.035  -3.068   2.039  1.00  0.00           H  
HETATM   49  H9  UNL     1       7.614  -1.887   3.333  1.00  0.00           H  
HETATM   50  H10 UNL     1       4.664  -2.406   3.156  1.00  0.00           H  
HETATM   51  H11 UNL     1       5.629  -4.300   1.203  1.00  0.00           H  
HETATM   52  H12 UNL     1       4.768  -4.594   2.682  1.00  0.00           H  
HETATM   53  H13 UNL     1       3.187  -3.715   0.223  1.00  0.00           H  
HETATM   54  H14 UNL     1       1.005  -2.889  -0.189  1.00  0.00           H  
HETATM   55  H15 UNL     1       1.300   0.642  -1.089  1.00  0.00           H  
HETATM   56  H16 UNL     1       0.464   0.874   1.774  1.00  0.00           H  
HETATM   57  H17 UNL     1       2.248   2.277   1.904  1.00  0.00           H  
HETATM   58  H18 UNL     1       2.403   2.332   0.119  1.00  0.00           H  
HETATM   59  H19 UNL     1       1.255   3.455   1.012  1.00  0.00           H  
HETATM   60  H20 UNL     1      -0.940   3.395   1.793  1.00  0.00           H  
HETATM   61  H21 UNL     1      -2.904   4.354   1.034  1.00  0.00           H  
HETATM   62  H22 UNL     1      -1.527   4.960  -0.746  1.00  0.00           H  
HETATM   63  H23 UNL     1      -1.687   3.388  -1.581  1.00  0.00           H  
HETATM   64  H24 UNL     1      -2.729   5.309  -2.610  1.00  0.00           H  
HETATM   65  H25 UNL     1      -3.951   4.083  -2.393  1.00  0.00           H  
HETATM   66  H26 UNL     1      -5.182   7.540  -1.507  1.00  0.00           H  
HETATM   67  H27 UNL     1      -5.060   2.978  -0.889  1.00  0.00           H  
HETATM   68  H28 UNL     1      -6.688   1.451  -0.279  1.00  0.00           H  
HETATM   69  H29 UNL     1      -6.202  -0.811  -0.151  1.00  0.00           H  
HETATM   70  H30 UNL     1      -5.424  -0.027  -1.522  1.00  0.00           H  
HETATM   71  H31 UNL     1      -3.164  -0.256  -0.401  1.00  0.00           H  
HETATM   72  H32 UNL     1      -3.988  -0.934   1.044  1.00  0.00           H  
HETATM   73  H33 UNL     1      -3.007  -2.640  -0.495  1.00  0.00           H  
HETATM   74  H34 UNL     1      -4.109  -1.984  -1.836  1.00  0.00           H  
HETATM   75  H35 UNL     1      -4.880  -4.067  -0.768  1.00  0.00           H  
HETATM   76  H36 UNL     1      -6.080  -2.774  -0.660  1.00  0.00           H  
HETATM   77  H37 UNL     1      -5.478  -4.203   1.388  1.00  0.00           H  
HETATM   78  H38 UNL     1      -5.377  -2.481   1.675  1.00  0.00           H  
HETATM   79  H39 UNL     1      -7.736   0.263   2.058  1.00  0.00           H  
HETATM   80  H40 UNL     1       2.693  -3.169  -1.986  1.00  0.00           H  
HETATM   81  H41 UNL     1       3.159  -0.169  -2.329  1.00  0.00           H  
HETATM   82  H42 UNL     1       3.680  -1.599  -3.231  1.00  0.00           H  
HETATM   83  H43 UNL     1       4.261  -1.458  -1.566  1.00  0.00           H  
HETATM   84  H44 UNL     1       0.710  -3.132  -3.031  1.00  0.00           H  
HETATM   85  H45 UNL     1       1.774  -2.023  -3.859  1.00  0.00           H  
HETATM   86  H46 UNL     1      -0.608  -1.231  -3.774  1.00  0.00           H  
HETATM   87  H47 UNL     1       0.555  -0.027  -3.231  1.00  0.00           H  
HETATM   88  H48 UNL     1      -0.420  -0.975  -2.042  1.00  0.00           H  
CONECT    1    2   41   42   43
CONECT    2    3   44   45
CONECT    3    4    5   46
CONECT    4   47   48   49
CONECT    5    6    7   50
CONECT    6   51   52
CONECT    7    8    8    9
CONECT    9   10   53
CONECT   10   11   37   54
CONECT   11   12   12   13
CONECT   13   14   55
CONECT   14   15   16   56
CONECT   15   57   58   59
CONECT   16   17   17   18
CONECT   18   19   60
CONECT   19   20   25   61
CONECT   20   21   62   63
CONECT   21   22   64   65
CONECT   22   23   23   24
CONECT   24   66
CONECT   25   26   26   27
CONECT   27   28   67
CONECT   28   29   34   68
CONECT   29   30   69   70
CONECT   30   31   71   72
CONECT   31   32   73   74
CONECT   32   33   75   76
CONECT   33   77   78
CONECT   34   35   35   36
CONECT   36   79
CONECT   37   38   39   80
CONECT   38   81   82   83
CONECT   39   40   84   85
CONECT   40   86   87   88
END

HMDB0253397
     RDKit          3D
Ile-Ile-Ala-Glu-Lys
 88 87  0  0  0  0  0  0  0  0999 V2000
    7.6632   -0.0364    1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2666   -0.5308    1.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754   -2.0127    1.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2074   -2.6411    2.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8295   -2.5879    2.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564   -4.0220    1.8121 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7291   -1.9840    1.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5076   -0.7673    1.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9614   -2.6947    0.3737 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -2.1209   -0.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3692   -0.9590    0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1392   -1.1692    1.5810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1241    0.3395   -0.1150 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6226    1.3708    0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6903    2.4121    0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    1.9412    0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784    1.4420   -0.8002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2894    2.9924    0.9430 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5570    3.5086    0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2902    4.1168   -0.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3503    4.7444   -1.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0388    5.8523   -1.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7054    6.1989    0.0481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0776    6.5506   -1.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5568    2.4592    0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2822    1.5699    1.4533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7647    2.2807   -0.1349 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6455    1.1814    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3366   -0.1366   -0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0544   -0.7963   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9784   -2.1547   -0.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0836   -3.0650   -0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0274   -3.3001    1.1383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9450    1.2195    1.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5491    2.0906    2.4304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7423    0.1979    2.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1853   -2.0853   -1.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3804   -1.2255   -2.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781   -2.0985   -2.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -1.0271   -2.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8018    0.0610    0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8166    1.0008    1.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4685   -0.6570    1.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0080   -0.2659    2.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6098    0.0083    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3979   -2.2584    0.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7311   -3.4234    3.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0351   -3.0682    2.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6136   -1.8872    3.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6639   -2.4057    3.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6294   -4.3002    1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7682   -4.5939    2.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1874   -3.7149    0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0052   -2.8886   -0.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998    0.6415   -1.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4637    0.8741    1.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2475    2.2772    1.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4028    2.3323    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554    3.4552    1.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401    3.3948    1.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9039    4.3543    1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5270    4.9595   -0.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6868    3.3880   -1.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7286    5.3094   -2.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9508    4.0830   -2.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1823    7.5396   -1.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0597    2.9776   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6882    1.4509   -0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2017   -0.8115   -0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4243   -0.0268   -1.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1640   -0.2563   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9883   -0.9342    1.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0073   -2.6404   -0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1089   -1.9838   -1.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8796   -4.0667   -0.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0797   -2.7742   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4783   -4.2029    1.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3768   -2.4808    1.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7362    0.2627    2.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -3.1686   -1.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1593   -0.1689   -2.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6801   -1.5989   -3.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2612   -1.4577   -1.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100   -3.1323   -3.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7739   -2.0230   -3.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -1.2313   -3.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551   -0.0272   -3.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4204   -0.9753   -2.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 19 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 28 34  1  0
 34 35  2  0
 34 36  1  0
 10 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  2 45  1  0
  3 46  1  0
  4 47  1  0
  4 48  1  0
  4 49  1  0
  5 50  1  0
  6 51  1  0
  6 52  1  0
  9 53  1  0
 10 54  1  0
 13 55  1  0
 14 56  1  0
 15 57  1  0
 15 58  1  0
 15 59  1  0
 18 60  1  0
 19 61  1  0
 20 62  1  0
 20 63  1  0
 21 64  1  0
 21 65  1  0
 24 66  1  0
 27 67  1  0
 28 68  1  0
 29 69  1  0
 29 70  1  0
 30 71  1  0
 30 72  1  0
 31 73  1  0
 31 74  1  0
 32 75  1  0
 32 76  1  0
 33 77  1  0
 33 78  1  0
 36 79  1  0
 37 80  1  0
 38 81  1  0
 38 82  1  0
 38 83  1  0
 39 84  1  0
 39 85  1  0
 40 86  1  0
 40 87  1  0
 40 88  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
6-Amino-2-[(2-{[2-({2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]-1-hydroxy-3-methylpentylidene}amino)-1-hydroxypropylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]hexanoate	HMDB

Chemical Formula

C₂₆H₄₈N₆O₈

Average Molecular Weight

572.704

Monoisotopic Molecular Weight

572.35336253

IUPAC Name

6-amino-2-(2-{2-[2-(2-amino-3-methylpentanamido)-3-methylpentanamido]propanamido}-4-carboxybutanamido)hexanoic acid

Traditional Name

6-amino-2-(2-{2-[2-(2-amino-3-methylpentanamido)-3-methylpentanamido]propanamido}-4-carboxybutanamido)hexanoic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C26H48N6O8/c1-6-14(3)20(28)24(37)32-21(15(4)7-2)25(38)29-16(5)22(35)30-17(11-12-19(33)34)23(36)31-18(26(39)40)10-8-9-13-27/h14-18,20-21H,6-13,27-28H2,1-5H3,(H,29,38)(H,30,35)(H,31,36)(H,32,37)(H,33,34)(H,39,40)

InChI Key

LMAFCBRBDQCUTK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Peptides

Alternative Parents

Substituents

Alpha peptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid or derivatives
Medium-chain fatty acid
Amino fatty acid
Branched fatty acid
Fatty acyl
Fatty acid
Dicarboxylic acid or derivatives
Amino acid or derivatives
Amino acid
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organic oxygen compound
Amine
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Primary amine
Organonitrogen compound
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-1.9	ALOGPS
logP	-5.1	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	3.22	ChemAxon
pKa (Strongest Basic)	10.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	243.04 Å²	ChemAxon
Rotatable Bond Count	20	ChemAxon
Refractivity	144.98 m³·mol⁻¹	ChemAxon
Polarizability	61.06 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	230.801	30932474
DeepCCS	[M-H]-	228.405	30932474
DeepCCS	[M-2H]-	261.288	30932474
DeepCCS	[M+Na]+	236.713	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Ile-Ile-Ala-Glu-Lys	CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(O)=O	4785.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys	CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(O)=O	3224.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys	CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(O)=O	4209.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #1	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	4184.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #1	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	4051.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #1	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	6756.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #10	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC	4202.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #10	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC	4084.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #10	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC	6726.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #11	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	4160.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #11	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	4084.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #11	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	6744.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #12	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	4165.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #12	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	4058.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #12	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	6724.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #13	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	4200.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #13	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	4129.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #13	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	6883.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #14	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4278.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #14	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4120.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #14	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	7013.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #15	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4230.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #15	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4117.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #15	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	7021.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #16	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4233.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #16	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4086.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #16	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	6999.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #17	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(C)CC	4474.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #17	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(C)CC	4160.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #17	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(C)CC	7133.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #18	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4111.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #18	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4073.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #18	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7293.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #19	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4058.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #19	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4071.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #19	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7294.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #2	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC	4245.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #2	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC	4073.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #2	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC	7036.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #20	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4048.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #20	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4047.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #20	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7281.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #21	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4128.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #21	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4071.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #21	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7396.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #22	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4093.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #22	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4054.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #22	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7374.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #23	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4106.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #23	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4053.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #23	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7387.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #24	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	4389.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #24	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	4091.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #24	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	6284.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #25	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4182.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #25	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4038.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #25	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6658.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #26	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	4358.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #26	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	4093.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #26	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	6749.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #27	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4229.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #27	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4065.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #27	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6663.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #28	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4198.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #28	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4064.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #28	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6669.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #29	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4185.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #29	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4040.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #29	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6688.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #3	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4032.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #3	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4033.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #3	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7333.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #30	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4215.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #30	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4106.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #30	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6819.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #31	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4293.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #31	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4095.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #31	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6948.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #32	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4251.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #32	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4091.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #32	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6943.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #33	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4242.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #33	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4067.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #33	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6961.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #34	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC	4497.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #34	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC	4126.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #34	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC	7068.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #35	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4134.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #35	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4054.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #35	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7236.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #36	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4083.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #36	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4052.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #36	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7228.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #37	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4064.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #37	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4030.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #37	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7251.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #38	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4155.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #38	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4048.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #38	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7330.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #39	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4112.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #39	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4037.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #39	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7342.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #4	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4086.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #4	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4037.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #4	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7431.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #40	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4134.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #40	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4028.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #40	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7349.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #41	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	4339.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #41	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	4117.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #41	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	6301.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #42	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O	4500.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #42	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O	4163.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #42	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O	6371.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #43	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4393.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #43	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4138.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #43	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	6302.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #44	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4364.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #44	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4131.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #44	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6329.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #45	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4363.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #45	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4104.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #45	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6312.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #46	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4580.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #46	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4159.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #46	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6439.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #47	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4343.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #47	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4100.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #47	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6723.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #48	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4222.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #48	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4073.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #48	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6645.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #49	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4194.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #49	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4073.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #49	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6658.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #5	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4053.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #5	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4043.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #5	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7430.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #50	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4188.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #50	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4053.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #50	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6646.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #51	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	4415.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #51	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	4130.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #51	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	6731.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #52	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	4370.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #52	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	4124.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #52	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	6755.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #53	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	4361.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #53	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	4105.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #53	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	6734.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #54	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4244.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #54	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4091.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #54	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6668.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #55	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4226.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #55	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4080.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #55	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6646.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #56	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4213.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #56	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4070.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #56	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	6665.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #57	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4279.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #57	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4145.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #57	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6818.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #58	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4243.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #58	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4142.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #58	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6818.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #59	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4231.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #59	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4119.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #59	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6804.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #6	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4037.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #6	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4014.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #6	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7449.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #60	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	4461.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #60	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	4182.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #60	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	6935.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #61	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4315.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #61	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4131.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #61	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6946.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #62	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4292.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #62	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4114.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #62	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6922.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #63	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4556.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #63	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4172.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #63	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	7056.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #64	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4284.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #64	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4104.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #64	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6933.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #65	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4518.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #65	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4167.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #65	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	7068.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #66	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4494.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #66	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4139.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #66	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	7046.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #67	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4147.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #67	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4082.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #67	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7208.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #68	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4129.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #68	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4073.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #68	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7190.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #69	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4099.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #69	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4063.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #69	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7196.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #7	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O	4379.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #7	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O	4118.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #7	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O	6366.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #70	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4186.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #70	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4063.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #70	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7290.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #8	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)C(C)CC)[Si](C)(C)C	4159.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #8	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)C(C)CC)[Si](C)(C)C	4057.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #8	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)C(C)CC)[Si](C)(C)C	6722.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #9	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O	4327.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #9	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O	4116.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,3TMS,isomer #9	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O	6812.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #1	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	4255.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #1	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	4136.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #1	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	5870.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #10	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4097.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #10	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4109.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #10	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6674.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #100	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4360.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #100	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4174.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #100	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	6365.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #101	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4322.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #101	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4163.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #101	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	6384.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #102	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4175.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #102	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4139.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #102	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6298.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #103	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4224.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #103	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4200.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #103	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6479.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #104	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4210.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #104	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4187.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #104	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6466.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #105	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4463.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #105	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4233.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #105	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6596.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #106	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4188.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #106	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4175.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #106	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6462.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #107	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4428.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #107	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4224.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #107	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6592.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #108	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4408.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #108	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4195.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #108	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6580.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #109	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4254.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #109	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4177.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #109	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6572.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #11	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC	4377.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #11	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC	4158.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #11	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC	6778.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #110	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4509.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #110	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4227.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #110	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6706.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #111	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4474.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #111	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4206.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #111	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6685.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #112	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4467.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #112	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4194.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #112	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6689.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #113	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4130.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #113	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4139.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #113	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6886.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #12	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4019.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #12	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4100.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #12	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7028.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #13	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	3968.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #13	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4100.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #13	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7014.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #14	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	3942.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #14	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4067.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #14	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	7038.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #15	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4016.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #15	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4100.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #15	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7108.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #16	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	3973.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #16	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4082.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #16	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7123.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #17	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4000.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #17	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4076.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #17	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7120.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #18	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	4222.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #18	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	4159.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #18	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	5889.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #19	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O	4384.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #19	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O	4198.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #19	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O	5971.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #2	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4047.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #2	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4085.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #2	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6370.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #20	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4263.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #20	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4183.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #20	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	5894.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #21	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4221.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #21	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4178.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #21	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5905.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #22	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4231.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #22	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4147.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #22	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5894.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #23	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4470.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #23	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4188.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #23	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6046.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #24	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4274.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #24	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4139.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #24	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6427.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #25	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4128.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #25	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4125.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #25	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6350.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #26	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4084.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #26	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4124.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #26	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6357.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #27	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4082.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #27	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4098.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #27	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6348.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #28	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	4306.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #28	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	4169.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #28	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	6434.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #29	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	4276.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #29	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	4168.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #29	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	6451.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #3	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	4225.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #3	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	4131.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #3	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	6453.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #30	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	4271.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #30	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	4144.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #30	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	6433.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #31	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4125.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #31	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4140.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #31	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6369.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #32	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4093.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #32	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4127.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #32	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6350.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #33	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4112.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #33	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4122.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #33	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	6362.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #34	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4182.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #34	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4186.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #34	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6539.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #35	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4136.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #35	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4181.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #35	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6531.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #36	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4130.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #36	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4151.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #36	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6521.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #37	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	4361.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #37	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	4205.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #37	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	6650.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #38	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4188.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #38	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4178.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #38	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6653.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #39	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4155.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #39	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4159.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #39	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6633.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #4	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4080.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #4	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4112.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #4	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6376.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #40	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4437.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #40	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4208.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #40	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	6765.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #41	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4168.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #41	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4156.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #41	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6633.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #42	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4396.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #42	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4204.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #42	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	6767.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #43	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4378.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #43	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4171.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #43	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	6748.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #44	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4089.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #44	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4135.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #44	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6985.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #45	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4065.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #45	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4123.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #45	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6971.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #46	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4033.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #46	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4113.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #46	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6971.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #47	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4113.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #47	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4118.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #47	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7057.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #48	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4235.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #48	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4144.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #48	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	5821.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #49	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	4400.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #49	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	4180.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #49	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	5901.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #5	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4043.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #5	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4115.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #5	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6375.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #50	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4278.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #50	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4168.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #50	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	5826.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #51	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4243.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #51	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4162.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #51	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5826.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #52	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4241.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #52	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4133.5	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #52	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5852.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #53	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4489.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #53	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4168.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #53	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5975.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #54	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4294.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #54	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4124.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #54	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6367.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #55	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4144.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #55	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4111.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #55	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6291.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #56	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4101.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #56	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4112.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #56	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6286.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #57	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4083.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #57	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4080.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #57	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6314.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #58	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4323.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #58	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4156.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #58	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6373.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #59	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4295.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #59	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4153.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #59	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6379.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #6	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4031.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #6	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4082.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #6	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6397.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #60	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4265.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #60	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4125.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #60	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6399.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #61	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4135.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #61	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4126.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #61	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6298.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #62	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4097.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #62	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4109.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #62	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6317.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #63	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4134.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #63	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4101.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #63	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6323.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #64	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4190.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #64	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4170.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #64	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6479.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #65	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4145.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #65	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4165.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #65	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6459.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #66	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4126.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #66	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4136.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #66	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6488.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #67	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4376.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #67	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4187.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #67	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6590.4	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #68	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4195.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #68	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4161.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #68	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6582.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #69	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4157.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #69	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4145.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #69	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6600.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #7	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4098.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #7	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4140.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #7	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6544.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #70	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4456.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #70	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4188.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #70	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6705.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #71	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4182.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #71	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4134.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #71	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6595.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #72	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4415.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #72	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4183.4	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #72	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6696.0	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #73	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4369.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #73	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4157.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #73	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6715.3	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #74	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4100.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #74	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4122.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #74	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6925.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #75	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4071.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #75	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4108.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #75	CCC(C)C(N)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6943.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #76	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4052.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #76	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4095.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #76	CCC(C)C(N)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6937.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #77	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4128.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #77	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4099.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #77	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	7023.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #78	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4406.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #78	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4200.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #78	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5935.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #79	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4286.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #79	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4188.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #79	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	5861.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #8	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4153.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #8	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4141.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #8	CCC(C)C(N)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6666.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #80	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4249.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #80	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4185.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #80	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	5876.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #81	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4250.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #81	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4159.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #81	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	5870.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #82	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	4463.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #82	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	4196.3	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #82	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(C)CC)[Si](C)(C)C	6006.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #83	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4467.8	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #83	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4232.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #83	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5943.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #84	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4435.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #84	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4221.6	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #84	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5960.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #85	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4427.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #85	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4197.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #85	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5949.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #86	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4619.5	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #86	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4238.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #86	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6085.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #87	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4295.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #87	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4200.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #87	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	5882.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #88	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4274.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #88	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4186.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #88	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC	5876.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #89	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4527.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #89	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	4219.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #89	CCC(C)C(N[Si](C)(C)C)C(=O)NC(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(C)CC	6013.7	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #9	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4109.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #9	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	4141.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #9	CCC(C)C(N)C(=O)NC(C(=O)NC(C)C(=O)N(C(CCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)CC	6653.9	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #90	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4279.3	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #90	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4169.7	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #90	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	5888.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #91	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4492.4	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #91	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4210.2	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #91	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6031.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #92	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4480.0	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #92	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4181.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #92	CCC(C)C(NC(=O)C(N[Si](C)(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6019.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #93	CCC(C)C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4356.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #93	CCC(C)C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4166.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #93	CCC(C)C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6357.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #94	CCC(C)C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4312.7	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #94	CCC(C)C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4162.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #94	CCC(C)C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6373.1	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #95	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4308.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #95	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4141.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #95	CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N(C(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6362.5	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #96	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4161.1	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #96	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4139.8	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #96	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6293.8	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #97	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4152.6	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #97	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4130.9	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #97	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)N(C(C)C(=O)NC(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6282.6	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #98	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4138.2	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #98	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	4122.1	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #98	CCC(C)C(N[Si](C)(C)C)C(=O)N(C(C(=O)NC(C)C(=O)N(C(CCC(=O)O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)CC)[Si](C)(C)C	6292.2	Standard polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #99	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4358.9	Semi standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #99	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4185.0	Standard non polar	33892256
Ile-Ile-Ala-Glu-Lys,4TMS,isomer #99	CCC(C)C(NC(=O)C(C(C)CC)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(C)C(=O)N(C(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	6384.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ile-Ile-Ala-Glu-Lys GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ile-Ile-Ala-Glu-Lys 10V, Negative-QTOF	splash10-00di-0000190000-c5774e06f259c136deb9	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ile-Ile-Ala-Glu-Lys 20V, Negative-QTOF	splash10-0ab9-1522950000-d9f31805b8fed8769396	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ile-Ile-Ala-Glu-Lys 40V, Negative-QTOF	splash10-03dj-4912100000-a1eb9a7a1a16d5e3cb10	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ile-Ile-Ala-Glu-Lys 10V, Positive-QTOF	splash10-00di-0010090000-115145340c45b287380b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ile-Ile-Ala-Glu-Lys 20V, Positive-QTOF	splash10-053b-8925160000-a72bca5a384dea4f9bb7	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ile-Ile-Ala-Glu-Lys 40V, Positive-QTOF	splash10-052r-9210000000-ceda120198dbe41919c8	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

85047144

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Ile-Ile-Ala-Glu-Lys (HMDB0253397)

MOL for HMDB0253397 (Ile-Ile-Ala-Glu-Lys)

3D MOL for HMDB0253397 (Ile-Ile-Ala-Glu-Lys)

3D SDF for HMDB0253397 (Ile-Ile-Ala-Glu-Lys)

3D-SDF for HMDB0253397 (Ile-Ile-Ala-Glu-Lys)

PDB for HMDB0253397 (Ile-Ile-Ala-Glu-Lys)

3D PDB for HMDB0253397 (Ile-Ile-Ala-Glu-Lys)

SMILES for HMDB0253397 (Ile-Ile-Ala-Glu-Lys)

INCHI for HMDB0253397 (Ile-Ile-Ala-Glu-Lys)

Structure for HMDB0253397 (Ile-Ile-Ala-Glu-Lys)

3D Structure for HMDB0253397 (Ile-Ile-Ala-Glu-Lys)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra