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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:57:22 UTC

Update Date

2022-03-07 02:53:38 UTC

HMDB ID

HMDB0033242

Secondary Accession Numbers

HMDB33242

Metabolite Identification

Common Name

Glycylserylprolylmethionylphenylalanylvalinamide

Description

Glycylserylprolylmethionylphenylalanylvalinamide belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Glycylserylprolylmethionylphenylalanylvalinamide has been detected, but not quantified in, mollusks. This could make glycylserylprolylmethionylphenylalanylvalinamide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Glycylserylprolylmethionylphenylalanylvalinamide.

Structure

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


  Mrv0541 02241211532D          

 44 45  0  0  0  0            999 V2000
    2.8587    0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    0.4137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 43 44  1  0  0  0  0
M  END

HMDB0033242
     RDKit          3D
Glycylserylprolylmethionylphenylalanylvalinamide
 89 90  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv0541 02241211532D          

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    1.4292   -0.8232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3234   -2.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412   -2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6525   -2.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2880    0.0014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0028    0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5733    1.2383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0028    1.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2880    1.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173    1.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4320    0.4137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173   -0.8232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5733    1.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2880    1.6506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  2  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 26 34  1  0  0  0  0
 26 37  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 41  1  0  0  0  0
 36 42  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033242

> <DATABASE_NAME>
hmdb

> <SMILES>
CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H45N7O7S/c1-17(2)24(25(31)39)35-27(41)20(14-18-8-5-4-6-9-18)34-26(40)19(11-13-44-3)33-28(42)22-10-7-12-36(22)29(43)21(16-37)32-23(38)15-30/h4-6,8-9,17,19-22,24,37H,7,10-16,30H2,1-3H3,(H2,31,39)(H,32,38)(H,33,42)(H,34,40)(H,35,41)

> <INCHI_KEY>
CVXWKHQDFPDLTM-UHFFFAOYSA-N

> <FORMULA>
C29H45N7O7S

> <MOLECULAR_WEIGHT>
635.775

> <EXACT_MASS>
635.310117519

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
65.3739244378383

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{2-[2-({1-[2-(2-aminoacetamido)-3-hydroxypropanoyl]pyrrolidin-2-yl}formamido)-4-(methylsulfanyl)butanamido]-3-phenylpropanamido}-3-methylbutanamide

> <ALOGPS_LOGP>
-0.33

> <JCHEM_LOGP>
-2.216007579000002

> <ALOGPS_LOGS>
-4.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.131679314809631

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.661963194765903

> <JCHEM_PKA_STRONGEST_BASIC>
7.83849940957338

> <JCHEM_POLAR_SURFACE_AREA>
226.04999999999995

> <JCHEM_REFRACTIVITY>
164.24870000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.92e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{2-[2-({1-[2-(2-aminoacetamido)-3-hydroxypropanoyl]pyrrolidin-2-yl}formamido)-4-(methylsulfanyl)butanamido]-3-phenylpropanamido}-3-methylbutanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033242
     RDKit          3D
Glycylserylprolylmethionylphenylalanylvalinamide
 89 90  0  0  0  0  0  0  0  0999 V2000
   -0.2996   -2.2607   -5.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6541   -1.7559   -4.7193 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9532   -1.1410   -3.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2954   -2.2734   -2.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3179   -1.8853   -1.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3433   -0.8769   -1.2883 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506   -0.9429   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723   -1.9141   -0.0824 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5582    0.1917   -1.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9785    0.2352   -2.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2202   -0.6066   -2.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6055   -0.8545   -1.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8366    0.1058   -0.3521 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4150    1.5373    1.3739 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6390    0.7275    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3453    1.1968    5.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9055    0.2845    6.0085 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4112    2.2869    2.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3346    1.5627    5.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3772   -0.8973    1.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
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 44 89  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       5.336   0.003   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       4.002   0.772   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       2.668   0.003   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   0.772   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       0.000   0.003   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -1.334   0.772   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.668   0.003   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -4.002   0.772   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -5.336   0.003   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.670   0.772   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -8.004   0.003   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -9.338   0.772   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -10.672   0.003   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0     -12.006   0.772   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0      -9.338   2.312   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -5.336  -1.537   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -2.668  -1.537   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.153  -0.759   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.799  -2.258   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.334   2.312   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       1.334   2.312   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000   3.081   0.000  0.00  0.00           C+0
HETATM   23  S   UNK     0       0.000   4.620   0.000  0.00  0.00           S+0
HETATM   24  C   UNK     0      -1.334   5.390   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.668  -1.537   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       6.670   0.772   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.336  -1.537   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.379  -2.742   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.855  -2.522   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.901  -3.733   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.470  -5.167   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.997  -5.390   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.951  -4.179   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0       8.004   0.003   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0       9.338   0.772   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.672   0.003   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       6.670   2.312   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       9.338   2.312   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.004   3.081   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      10.672   3.081   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0      12.006   0.772   0.000  0.00  0.00           N+0
HETATM   42  O   UNK     0      10.672  -1.537   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -6.670   2.312   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -8.004   3.081   0.000  0.00  0.00           O+0
CONECT    1    2   26   27                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   25                                                  
CONECT    4    3    5   21                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   20                                                  
CONECT    7    6    8   17                                                  
CONECT    8    7    9   18                                                  
CONECT    9    8   10   16                                                  
CONECT   10    9   11   43                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12                                                            
CONECT   16    9                                                            
CONECT   17    7   19                                                       
CONECT   18    8   19                                                       
CONECT   19   17   18                                                       
CONECT   20    6                                                            
CONECT   21    4   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25    3                                                            
CONECT   26    1   34   37                                                  
CONECT   27    1   28                                                       
CONECT   28   27   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   28   32                                                       
CONECT   34   26   35                                                       
CONECT   35   34   36   38                                                  
CONECT   36   35   41   42                                                  
CONECT   37   26                                                            
CONECT   38   35   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   36                                                            
CONECT   42   36                                                            
CONECT   43   10   44                                                       
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   90    0
END

COMPND    HMDB0033242
HETATM    1  C1  UNL     1      -0.300  -2.261  -5.794  1.00  0.00           C  
HETATM    2  S1  UNL     1      -1.654  -1.756  -4.719  1.00  0.00           S  
HETATM    3  C2  UNL     1      -0.953  -1.141  -3.152  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.295  -2.273  -2.428  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.318  -1.885  -1.134  1.00  0.00           C  
HETATM    6  N1  UNL     1       1.343  -0.877  -1.288  1.00  0.00           N  
HETATM    7  C5  UNL     1       2.651  -0.943  -0.766  1.00  0.00           C  
HETATM    8  O1  UNL     1       3.072  -1.914  -0.082  1.00  0.00           O  
HETATM    9  C6  UNL     1       3.558   0.192  -1.045  1.00  0.00           C  
HETATM   10  C7  UNL     1       3.978   0.235  -2.492  1.00  0.00           C  
HETATM   11  C8  UNL     1       5.220  -0.607  -2.553  1.00  0.00           C  
HETATM   12  C9  UNL     1       5.606  -0.854  -1.117  1.00  0.00           C  
HETATM   13  N2  UNL     1       4.837   0.106  -0.352  1.00  0.00           N  
HETATM   14  C10 UNL     1       5.270   0.804   0.776  1.00  0.00           C  
HETATM   15  O2  UNL     1       4.415   1.537   1.374  1.00  0.00           O  
HETATM   16  C11 UNL     1       6.639   0.728   1.287  1.00  0.00           C  
HETATM   17  C12 UNL     1       7.503   1.605   0.376  1.00  0.00           C  
HETATM   18  O3  UNL     1       6.963   2.897   0.466  1.00  0.00           O  
HETATM   19  N3  UNL     1       6.736   1.310   2.632  1.00  0.00           N  
HETATM   20  C13 UNL     1       7.259   0.572   3.712  1.00  0.00           C  
HETATM   21  O4  UNL     1       7.654  -0.600   3.564  1.00  0.00           O  
HETATM   22  C14 UNL     1       7.345   1.197   5.054  1.00  0.00           C  
HETATM   23  N4  UNL     1       7.906   0.284   6.008  1.00  0.00           N  
HETATM   24  C15 UNL     1      -0.713  -1.399  -0.185  1.00  0.00           C  
HETATM   25  O5  UNL     1      -0.277  -0.609   0.732  1.00  0.00           O  
HETATM   26  N5  UNL     1      -2.082  -1.712  -0.200  1.00  0.00           N  
HETATM   27  C16 UNL     1      -2.972  -1.178   0.793  1.00  0.00           C  
HETATM   28  C17 UNL     1      -4.040  -2.129   1.225  1.00  0.00           C  
HETATM   29  C18 UNL     1      -4.902  -2.580   0.113  1.00  0.00           C  
HETATM   30  C19 UNL     1      -4.609  -3.721  -0.601  1.00  0.00           C  
HETATM   31  C20 UNL     1      -5.383  -4.174  -1.648  1.00  0.00           C  
HETATM   32  C21 UNL     1      -6.522  -3.470  -2.029  1.00  0.00           C  
HETATM   33  C22 UNL     1      -6.831  -2.325  -1.326  1.00  0.00           C  
HETATM   34  C23 UNL     1      -6.027  -1.890  -0.269  1.00  0.00           C  
HETATM   35  C24 UNL     1      -3.578   0.138   0.383  1.00  0.00           C  
HETATM   36  O6  UNL     1      -3.296   0.611  -0.768  1.00  0.00           O  
HETATM   37  N6  UNL     1      -4.444   0.881   1.218  1.00  0.00           N  
HETATM   38  C25 UNL     1      -4.963   2.149   0.740  1.00  0.00           C  
HETATM   39  C26 UNL     1      -6.416   2.230   0.980  1.00  0.00           C  
HETATM   40  N7  UNL     1      -7.169   3.330   0.554  1.00  0.00           N  
HETATM   41  O7  UNL     1      -6.976   1.279   1.581  1.00  0.00           O  
HETATM   42  C27 UNL     1      -4.220   3.297   1.421  1.00  0.00           C  
HETATM   43  C28 UNL     1      -4.732   4.630   0.937  1.00  0.00           C  
HETATM   44  C29 UNL     1      -4.332   3.251   2.915  1.00  0.00           C  
HETATM   45  H1  UNL     1       0.299  -3.080  -5.339  1.00  0.00           H  
HETATM   46  H2  UNL     1       0.325  -1.383  -6.051  1.00  0.00           H  
HETATM   47  H3  UNL     1      -0.734  -2.647  -6.740  1.00  0.00           H  
HETATM   48  H4  UNL     1      -0.228  -0.347  -3.438  1.00  0.00           H  
HETATM   49  H5  UNL     1      -1.752  -0.727  -2.537  1.00  0.00           H  
HETATM   50  H6  UNL     1      -1.085  -3.042  -2.226  1.00  0.00           H  
HETATM   51  H7  UNL     1       0.517  -2.740  -3.046  1.00  0.00           H  
HETATM   52  H8  UNL     1       0.835  -2.767  -0.675  1.00  0.00           H  
HETATM   53  H9  UNL     1       1.058  -0.023  -1.848  1.00  0.00           H  
HETATM   54  H10 UNL     1       3.094   1.192  -0.821  1.00  0.00           H  
HETATM   55  H11 UNL     1       4.129   1.274  -2.860  1.00  0.00           H  
HETATM   56  H12 UNL     1       3.162  -0.279  -3.065  1.00  0.00           H  
HETATM   57  H13 UNL     1       5.093  -1.554  -3.120  1.00  0.00           H  
HETATM   58  H14 UNL     1       6.016   0.055  -3.012  1.00  0.00           H  
HETATM   59  H15 UNL     1       6.673  -0.797  -0.944  1.00  0.00           H  
HETATM   60  H16 UNL     1       5.265  -1.912  -0.857  1.00  0.00           H  
HETATM   61  H17 UNL     1       7.040  -0.281   1.316  1.00  0.00           H  
HETATM   62  H18 UNL     1       7.414   1.299  -0.654  1.00  0.00           H  
HETATM   63  H19 UNL     1       8.519   1.597   0.759  1.00  0.00           H  
HETATM   64  H20 UNL     1       5.993   2.885   0.334  1.00  0.00           H  
HETATM   65  H21 UNL     1       6.411   2.287   2.800  1.00  0.00           H  
HETATM   66  H22 UNL     1       6.335   1.563   5.381  1.00  0.00           H  
HETATM   67  H23 UNL     1       8.003   2.102   4.970  1.00  0.00           H  
HETATM   68  H24 UNL     1       7.797   0.653   6.965  1.00  0.00           H  
HETATM   69  H25 UNL     1       7.485  -0.661   5.907  1.00  0.00           H  
HETATM   70  H26 UNL     1      -2.462  -2.337  -0.931  1.00  0.00           H  
HETATM   71  H27 UNL     1      -2.377  -0.897   1.724  1.00  0.00           H  
HETATM   72  H28 UNL     1      -3.587  -2.993   1.790  1.00  0.00           H  
HETATM   73  H29 UNL     1      -4.663  -1.594   1.999  1.00  0.00           H  
HETATM   74  H30 UNL     1      -3.718  -4.267  -0.296  1.00  0.00           H  
HETATM   75  H31 UNL     1      -5.126  -5.077  -2.193  1.00  0.00           H  
HETATM   76  H32 UNL     1      -7.129  -3.831  -2.851  1.00  0.00           H  
HETATM   77  H33 UNL     1      -7.728  -1.784  -1.638  1.00  0.00           H  
HETATM   78  H34 UNL     1      -6.310  -0.993   0.245  1.00  0.00           H  
HETATM   79  H35 UNL     1      -4.690   0.498   2.153  1.00  0.00           H  
HETATM   80  H36 UNL     1      -4.687   2.243  -0.337  1.00  0.00           H  
HETATM   81  H37 UNL     1      -7.096   3.610  -0.466  1.00  0.00           H  
HETATM   82  H38 UNL     1      -7.799   3.907   1.138  1.00  0.00           H  
HETATM   83  H39 UNL     1      -3.132   3.193   1.178  1.00  0.00           H  
HETATM   84  H40 UNL     1      -4.966   4.636  -0.149  1.00  0.00           H  
HETATM   85  H41 UNL     1      -3.977   5.441   1.181  1.00  0.00           H  
HETATM   86  H42 UNL     1      -5.655   4.903   1.494  1.00  0.00           H  
HETATM   87  H43 UNL     1      -5.388   2.976   3.171  1.00  0.00           H  
HETATM   88  H44 UNL     1      -4.095   4.250   3.330  1.00  0.00           H  
HETATM   89  H45 UNL     1      -3.669   2.482   3.366  1.00  0.00           H  
CONECT    1    2   45   46   47
CONECT    2    3
CONECT    3    4   48   49
CONECT    4    5   50   51
CONECT    5    6   24   52
CONECT    6    7   53
CONECT    7    8    8    9
CONECT    9   10   13   54
CONECT   10   11   55   56
CONECT   11   12   57   58
CONECT   12   13   59   60
CONECT   13   14
CONECT   14   15   15   16
CONECT   16   17   19   61
CONECT   17   18   62   63
CONECT   18   64
CONECT   19   20   65
CONECT   20   21   21   22
CONECT   22   23   66   67
CONECT   23   68   69
CONECT   24   25   25   26
CONECT   26   27   70
CONECT   27   28   35   71
CONECT   28   29   72   73
CONECT   29   30   30   34
CONECT   30   31   74
CONECT   31   32   32   75
CONECT   32   33   76
CONECT   33   34   34   77
CONECT   34   78
CONECT   35   36   36   37
CONECT   37   38   79
CONECT   38   39   42   80
CONECT   39   40   41   41
CONECT   40   81   82
CONECT   42   43   44   83
CONECT   43   84   85   86
CONECT   44   87   88   89
END

HMDB0033242
     RDKit          3D
Glycylserylprolylmethionylphenylalanylvalinamide
 89 90  0  0  0  0  0  0  0  0999 V2000
   -0.2996   -2.2607   -5.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6541   -1.7559   -4.7193 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9532   -1.1410   -3.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2954   -2.2734   -2.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3179   -1.8853   -1.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3433   -0.8769   -1.2883 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506   -0.9429   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0723   -1.9141   -0.0824 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5582    0.1917   -1.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9785    0.2352   -2.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2202   -0.6066   -2.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6055   -0.8545   -1.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8366    0.1058   -0.3521 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2700    0.8039    0.7762 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4150    1.5373    1.3739 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6390    0.7275    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5026    1.6050    0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9628    2.8974    0.4664 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7363    1.3099    2.6324 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2595    0.5719    3.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6537   -0.6000    3.5642 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3453    1.1968    5.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9055    0.2845    6.0085 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7126   -1.3990   -0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2769   -0.6089    0.7323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0816   -1.7120   -0.1997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9723   -1.1780    0.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0403   -2.1289    1.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9016   -2.5796    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6089   -3.7205   -0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3827   -4.1736   -1.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5218   -3.4705   -2.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8311   -2.3254   -1.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0274   -1.8904   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5775    0.1382    0.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    0.6113   -0.7679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4442    0.8807    1.2177 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9630    2.1487    0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4164    2.2304    0.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1691    3.3304    0.5538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9757    1.2787    1.5805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2196    3.2973    1.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7324    4.6303    0.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3317    3.2512    2.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2990   -3.0797   -5.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3254   -1.3830   -6.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7340   -2.6471   -6.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2280   -0.3474   -3.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7519   -0.7270   -2.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0851   -3.0415   -2.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5173   -2.7396   -3.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8352   -2.7673   -0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579   -0.0229   -1.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0943    1.1920   -0.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1293    1.2745   -2.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1622   -0.2792   -3.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0934   -1.5538   -3.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163    0.0552   -3.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6733   -0.7971   -0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2653   -1.9123   -0.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0397   -0.2806    1.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4138    1.2986   -0.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5189    1.5974    0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    2.8855    0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4112    2.2869    2.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3346    1.5627    5.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0028    2.1021    4.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7966    0.6532    6.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4850   -0.6607    5.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4623   -2.3373   -0.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3772   -0.8973    1.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5868   -2.9927    1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6627   -1.5938    1.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7182   -4.2668   -0.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1261   -5.0765   -2.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1294   -3.8314   -2.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7276   -1.7840   -1.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3099   -0.9933    0.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6903    0.4978    2.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6866    2.2428   -0.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0962    3.6096   -0.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7987    3.9072    1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317    3.1932    1.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9661    4.6360   -0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9773    5.4408    1.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6550    4.9031    1.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3875    2.9764    3.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0946    4.2497    3.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6693    2.4819    3.3658 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
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 14 15  2  0
 14 16  1  0
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 17 18  1  0
 16 19  1  0
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 20 22  1  0
 22 23  1  0
  5 24  1  0
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 24 26  1  0
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 38 39  1  0
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 13  9  1  0
 34 29  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  3 48  1  0
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  4 50  1  0
  4 51  1  0
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 44 89  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-({2-[(2-{[(1-{2-[(2-amino-1-hydroxyethylidene)amino]-3-hydroxypropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-1-hydroxy-4-(methylsulfanyl)butylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-3-methylbutanimidate	HMDB
2-({2-[(2-{[(1-{2-[(2-amino-1-hydroxyethylidene)amino]-3-hydroxypropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-1-hydroxy-4-(methylsulphanyl)butylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-3-methylbutanimidate	HMDB
2-({2-[(2-{[(1-{2-[(2-amino-1-hydroxyethylidene)amino]-3-hydroxypropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-1-hydroxy-4-(methylsulphanyl)butylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-3-methylbutanimidic acid	HMDB

Chemical Formula

C₂₉H₄₅N₇O₇S

Average Molecular Weight

635.775

Monoisotopic Molecular Weight

635.310117519

IUPAC Name

2-{2-[2-({1-[2-(2-aminoacetamido)-3-hydroxypropanoyl]pyrrolidin-2-yl}formamido)-4-(methylsulfanyl)butanamido]-3-phenylpropanamido}-3-methylbutanamide

Traditional Name

2-{2-[2-({1-[2-(2-aminoacetamido)-3-hydroxypropanoyl]pyrrolidin-2-yl}formamido)-4-(methylsulfanyl)butanamido]-3-phenylpropanamido}-3-methylbutanamide

CAS Registry Number

115525-98-9

SMILES

CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(N)=O

InChI Identifier

InChI=1S/C29H45N7O7S/c1-17(2)24(25(31)39)35-27(41)20(14-18-8-5-4-6-9-18)34-26(40)19(11-13-44-3)33-28(42)22-10-7-12-36(22)29(43)21(16-37)32-23(38)15-30/h4-6,8-9,17,19-22,24,37H,7,10-16,30H2,1-3H3,(H2,31,39)(H,32,38)(H,33,42)(H,34,40)(H,35,41)

InChI Key

CVXWKHQDFPDLTM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Phenylalanine or derivatives
Methionine or derivatives
Valine or derivatives
Proline or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
N-acylpyrrolidine
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Monocyclic benzene moiety
Fatty amide
N-acyl-amine
Fatty acyl
Benzenoid
Pyrrolidine
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Primary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Organoheterocyclic compound
Dialkylthioether
Sulfenyl compound
Thioether
Azacycle
Organopnictogen compound
Hydrocarbon derivative
Organic oxygen compound
Primary aliphatic amine
Organic nitrogen compound
Organonitrogen compound
Carbonyl group
Alcohol
Organic oxide
Organooxygen compound
Organosulfur compound
Primary alcohol
Primary amine
Amine
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0033242)
Cytoplasm (HMDB: HMDB0033242)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033242)

Source

Exogenous

Food

Food (HMDB: HMDB0033242)

Aquatic origin

Mollusk

Mollusks (FooDB: FOOD00868)

Endogenous

Animal

Animal (HMDB: HMDB0033242)

Not Available

Nutrient (HMDB: HMDB0033242)

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
Water Solubility	0.039 g/L	ALOGPS
logP	-0.33	ALOGPS
logP	-2.2	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	11.66	ChemAxon
pKa (Strongest Basic)	7.84	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	226.05 Å²	ChemAxon
Rotatable Bond Count	17	ChemAxon
Refractivity	164.25 m³·mol⁻¹	ChemAxon
Polarizability	65.37 Å³	ChemAxon
Number of Rings	2	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
DarkChem	[M+H]+	241.194	31661259
DarkChem	[M-H]-	234.194	31661259
DeepCCS	[M+H]+	238.252	30932474
DeepCCS	[M-H]-	235.879	30932474
DeepCCS	[M-2H]-	269.119	30932474
DeepCCS	[M+Na]+	244.103	30932474
AllCCS	[M+H]+	246.3	32859911
AllCCS	[M+H-H2O]+	245.6	32859911
AllCCS	[M+NH4]+	246.9	32859911
AllCCS	[M+Na]+	247.1	32859911
AllCCS	[M-H]-	229.3	32859911
AllCCS	[M+Na-2H]-	232.2	32859911
AllCCS	[M+HCOO]-	235.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glycylserylprolylmethionylphenylalanylvalinamide	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(N)=O	4627.2	Standard polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(N)=O	3817.6	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(N)=O	5305.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glycylserylprolylmethionylphenylalanylvalinamide,1TMS,isomer #1	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5096.0	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TMS,isomer #2	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5194.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TMS,isomer #3	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	5101.8	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TMS,isomer #4	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	5005.0	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TMS,isomer #5	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5007.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TMS,isomer #6	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	5047.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TMS,isomer #7	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	5028.7	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #1	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5062.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #1	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	4613.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #10	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5176.7	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #10	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	4757.9	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #11	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	5006.7	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #11	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	4600.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #12	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4987.7	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #12	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4582.1	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #13	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4899.8	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #13	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4600.8	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #14	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	4909.8	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #14	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	4638.7	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #15	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4949.0	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #15	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4593.7	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #16	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4925.3	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #16	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4583.6	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #17	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C	5075.7	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #17	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C	4680.3	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #18	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4878.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #18	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4542.1	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #19	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4834.9	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #19	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4515.5	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #2	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	4974.2	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #2	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	4592.0	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #20	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4851.0	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #20	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4559.3	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #21	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	4882.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #21	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	4555.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #22	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4851.8	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #22	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4530.1	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #23	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4883.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #23	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4507.8	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #3	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)[Si](C)(C)C	4893.0	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #3	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)[Si](C)(C)C	4519.4	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #4	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	4940.8	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #4	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	4544.6	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #5	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	4932.1	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #5	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	4501.4	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #6	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4927.9	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #6	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4477.4	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #7	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	5079.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #7	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	4673.1	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #8	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4968.2	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #8	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4614.7	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #9	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5009.8	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TMS,isomer #9	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	4658.3	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #1	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	4961.7	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #1	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	4662.3	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #10	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4873.1	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #10	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4573.1	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #11	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C	4969.8	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #11	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C	4650.3	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #12	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)[Si](C)(C)C	4802.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #12	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)[Si](C)(C)C	4510.8	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #13	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)[Si](C)(C)C	4793.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #13	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)[Si](C)(C)C	4488.7	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #14	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4797.9	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #14	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4531.4	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #15	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	4827.8	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #15	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	4532.9	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #16	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4835.8	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #16	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4512.1	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #17	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4830.9	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #17	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4492.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #18	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4890.1	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #18	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4665.0	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #19	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	4937.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #19	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	4710.5	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #2	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4856.1	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #2	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4588.8	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #20	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	5070.1	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #20	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	4788.1	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #21	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4936.8	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #21	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4662.8	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #22	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4925.9	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #22	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4655.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #23	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C	5047.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #23	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C	4732.5	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #24	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4856.7	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #24	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4602.9	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #25	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4834.3	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #25	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4589.8	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #26	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4854.1	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #26	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4638.9	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #27	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5016.3	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #27	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4734.6	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #28	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5054.1	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #28	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	4747.8	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #29	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	4887.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #29	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	4635.4	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #3	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	4936.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #3	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	4629.3	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #30	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4869.2	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #30	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4624.8	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #31	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	5056.5	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #31	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	4723.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #32	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	5057.1	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #32	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4707.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #33	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4871.9	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #33	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4587.6	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #34	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4813.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #34	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4605.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #35	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4803.1	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #35	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4604.9	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #36	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4912.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #36	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4676.8	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #37	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4793.2	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #37	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4625.5	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #38	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4837.8	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #38	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4631.4	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #39	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4812.2	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #39	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4627.3	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #4	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5064.5	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #4	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	4722.6	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #40	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C	4941.5	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #40	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C	4698.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #41	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4839.3	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #41	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4607.0	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #42	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4964.5	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #42	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4675.4	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #43	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4958.1	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #43	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4669.1	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #44	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4769.0	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #44	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C	4528.3	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #45	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4776.5	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #45	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4557.7	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #46	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4731.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #46	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4542.4	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #47	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4773.9	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #47	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4551.3	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #5	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	4902.0	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #5	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN[Si](C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C	4578.4	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #6	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4916.8	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #6	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C	4562.3	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #7	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)[Si](C)(C)C	4802.5	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #7	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)[Si](C)(C)C	4582.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #8	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	4878.9	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #8	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C	4610.8	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #9	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4856.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,3TMS,isomer #9	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C)C(C)C)[Si](C)(C)C	4580.9	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TBDMS,isomer #1	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5320.1	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TBDMS,isomer #2	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5376.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TBDMS,isomer #3	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C	5326.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TBDMS,isomer #4	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C(C)(C)C	5262.9	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TBDMS,isomer #5	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5267.5	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TBDMS,isomer #6	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	5309.5	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,1TBDMS,isomer #7	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	5303.7	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #1	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5457.5	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #1	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	4948.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #10	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5578.9	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #10	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5022.4	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #11	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	5445.0	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #11	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	4911.0	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #12	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	5446.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #12	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	4895.9	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #13	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C(C)(C)C	5348.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #13	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C(C)(C)C	4892.1	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #14	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C	5367.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #14	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C	4922.4	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #15	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5401.7	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #15	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4888.5	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #16	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5384.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #16	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4872.0	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #17	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5476.7	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #17	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4941.1	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #18	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C(C)(C)C	5336.5	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #18	CSCCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C(C)(C)C	4836.3	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #19	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C(C)(C)C	5324.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #19	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)[Si](C)(C)C(C)(C)C	4798.9	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #2	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C	5406.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #2	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C	4904.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #20	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5323.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #20	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4836.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #21	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	5363.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #21	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	4833.4	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #22	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	5356.3	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #22	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	4807.1	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #23	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5368.0	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #23	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4800.9	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #3	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CN)[Si](C)(C)C(C)(C)C	5337.3	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #3	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CN)[Si](C)(C)C(C)(C)C	4826.1	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #4	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5395.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #4	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	4850.2	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #5	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	5383.4	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #5	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CN)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	4811.0	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #6	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	5390.1	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #6	CSCCC(NC(=O)C1CCCN1C(=O)C(CO[Si](C)(C)C(C)(C)C)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(C(N)=O)C(C)C)[Si](C)(C)C(C)(C)C	4786.3	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #7	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C	5477.6	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #7	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N[Si](C)(C)C(C)(C)C)C(C)C	4985.9	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #8	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5395.0	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #8	CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C)N(C(=O)C1CCCN1C(=O)C(CO)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4924.8	Standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #9	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	5435.9	Semi standard non polar	33892256
Glycylserylprolylmethionylphenylalanylvalinamide,2TBDMS,isomer #9	CSCCC(NC(=O)C1CCCN1C(=O)C(CO)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(N)=O)C(C)C	4962.9	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (Non-derivatized) - 70eV, Positive	splash10-02t9-9781061000-f818c56b9a5fe4f40405	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TBDMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS (TBDMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide GC-MS ("Glycylserylprolylmethionylphenylalanylvalinamide,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-11-02	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 - Glycylserylprolylmethionylphenylalanylvalinamide 10V, Positive-QTOF	splash10-02t9-4965228000-1730ac6b98bff97353f1	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide 20V, Positive-QTOF	splash10-014i-8953100000-ba4a6bc750835bd49aa6	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide 40V, Positive-QTOF	splash10-0g4i-9653000000-fe052eb2b0fd6680e28e	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide 10V, Negative-QTOF	splash10-0f7k-6001089000-b964957affd3b38b7318	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide 20V, Negative-QTOF	splash10-0002-9110022000-90830da91cde0f3cec02	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide 40V, Negative-QTOF	splash10-0002-9310000000-83d919d761cfdae2129c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide 10V, Negative-QTOF	splash10-00lr-1000398000-5acbf8ccd7abb96a49f3	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide 20V, Negative-QTOF	splash10-0006-3100691000-c882727618b8843f8dfd	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide 40V, Negative-QTOF	splash10-0006-9221200000-f6ae2241bfcc0069884d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide 10V, Positive-QTOF	splash10-01ti-0000096000-e6cc9f4273c2ccd3b7bc	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide 20V, Positive-QTOF	splash10-03di-0200190000-653de7ea6ac1405f22ae	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylserylprolylmethionylphenylalanylvalinamide 40V, Positive-QTOF	splash10-0c01-9300210000-38c613eb9a4d35f1f161	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

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

FDB011259

KNApSAcK ID

C00056519

Chemspider ID

28676439

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71338674

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

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Glycylserylprolylmethionylphenylalanylvalinamide (HMDB0033242)

MOL for HMDB0033242 (Glycylserylprolylmethionylphenylalanylvalinamide)

3D MOL for HMDB0033242 (Glycylserylprolylmethionylphenylalanylvalinamide)

3D SDF for HMDB0033242 (Glycylserylprolylmethionylphenylalanylvalinamide)

3D-SDF for HMDB0033242 (Glycylserylprolylmethionylphenylalanylvalinamide)

PDB for HMDB0033242 (Glycylserylprolylmethionylphenylalanylvalinamide)

3D PDB for HMDB0033242 (Glycylserylprolylmethionylphenylalanylvalinamide)

SMILES for HMDB0033242 (Glycylserylprolylmethionylphenylalanylvalinamide)

INCHI for HMDB0033242 (Glycylserylprolylmethionylphenylalanylvalinamide)

Structure for HMDB0033242 (Glycylserylprolylmethionylphenylalanylvalinamide)

3D Structure for HMDB0033242 (Glycylserylprolylmethionylphenylalanylvalinamide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra