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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-12 00:27:56 UTC

Update Date

2021-09-26 23:18:23 UTC

HMDB ID

HMDB0260312

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester

Description

Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester 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. Based on a literature review very few articles have been published on Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester. This compound has been identified in human blood as reported by (PMID: 31557052 ). Glycine, l-g-glutamyl-l-cysteinyl-, 3-methyl ester is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester 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

HMDB0260312
     RDKit          3D
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester
 40 39  0  0  0  0  0  0  0  0999 V2000
    6.2864    1.2167    2.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6026    1.7079    0.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220    0.3840    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1426   -0.3343    1.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2515    0.8333   -0.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7635    0.6946   -1.0328 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1615   -0.4500   -0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7802   -1.1023    0.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -0.7672   -0.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -2.1707   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1234   -2.7684   -0.7453 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3223   -0.0270   -0.6723 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4611    0.7325   -0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9559    1.4365   -1.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560    0.7685    0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4277   -0.2253    0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3323   -0.1401   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2807   -1.3086   -0.4586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1792    0.9939   -0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2314    0.6356   -1.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4228    2.2278   -0.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8797    0.3323    1.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8315    1.3843    3.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1617    2.0549    2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4916    1.8751   -1.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.2316   -1.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2422    1.4207   -1.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -1.1381   -1.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5171   -2.1519    0.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308   -2.8660   -0.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0597   -4.1685   -1.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2407    0.9496   -1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882    0.5356    1.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6845    1.7764    0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0673   -1.2469    0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0368    0.0639    1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875   -0.3731   -1.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6828   -2.1340   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5001   -1.3759    0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7045    2.4924    0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  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
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 11 31  1  0
 12 32  1  0
 15 33  1  0
 15 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  0
 18 38  1  0
 18 39  1  0
 21 40  1  0
M  END

  Mrv1652309122102282D          

 21 20  0  0  0  0            999 V2000
    4.7586    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    2.3349    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    4.8099    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0260312

> <DATABASE_NAME>
hmdb

> <SMILES>
COC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H19N3O6S/c1-20-9(16)4-13-10(17)7(5-21)14-8(15)3-2-6(12)11(18)19/h6-7,21H,2-5,12H2,1H3,(H,13,17)(H,14,15)(H,18,19)

> <INCHI_KEY>
GZFOMNDCXQBAAX-UHFFFAOYSA-N

> <FORMULA>
C11H19N3O6S

> <MOLECULAR_WEIGHT>
321.35

> <EXACT_MASS>
321.099456518

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
31.464208232388277

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-({1-[(2-methoxy-2-oxoethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid

> <ALOGPS_LOGP>
-2.61

> <JCHEM_LOGP>
-4.641761614256282

> <ALOGPS_LOGS>
-2.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.046200979826205

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9434401962179675

> <JCHEM_PKA_STRONGEST_BASIC>
9.223021132696642

> <JCHEM_POLAR_SURFACE_AREA>
147.82

> <JCHEM_REFRACTIVITY>
73.884

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.71e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-({1-[(2-methoxy-2-oxoethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0260312
     RDKit          3D
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester
 40 39  0  0  0  0  0  0  0  0999 V2000
    6.2864    1.2167    2.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6026    1.7079    0.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220    0.3840    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1426   -0.3343    1.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2515    0.8333   -0.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7635    0.6946   -1.0328 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1615   -0.4500   -0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7802   -1.1023    0.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -0.7672   -0.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -2.1707   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1234   -2.7684   -0.7453 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3223   -0.0270   -0.6723 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4611    0.7325   -0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9559    1.4365   -1.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560    0.7685    0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4277   -0.2253    0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3323   -0.1401   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2807   -1.3086   -0.4586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1792    0.9939   -0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2314    0.6356   -1.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4228    2.2278   -0.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8797    0.3323    1.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8315    1.3843    3.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1617    2.0549    2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4916    1.8751   -1.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.2316   -1.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2422    1.4207   -1.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -1.1381   -1.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5171   -2.1519    0.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308   -2.8660   -0.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0597   -4.1685   -1.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2407    0.9496   -1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882    0.5356    1.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6845    1.7764    0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0673   -1.2469    0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0368    0.0639    1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875   -0.3731   -1.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6828   -2.1340   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5001   -1.3759    0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7045    2.4924    0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  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
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 11 31  1  0
 12 32  1  0
 15 33  1  0
 15 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  0
 18 38  1  0
 18 39  1  0
 21 40  1  0
M  END

HEADER    PROTEIN                                 12-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-21         0                                  
HETATM    1  C   UNK     0       8.883   6.668   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.216   7.438   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      11.550   6.668   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      11.550   5.128   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      12.884   7.438   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      14.217   6.668   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      15.551   7.438   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      15.551   8.978   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      16.885   6.668   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.885   5.128   0.000  0.00  0.00           C+0
HETATM   11  S   UNK     0      18.218   4.358   0.000  0.00  0.00           S+0
HETATM   12  N   UNK     0      18.218   7.438   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      19.552   6.668   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      19.552   5.128   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      20.886   7.438   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      22.219   6.668   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      23.553   7.438   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      24.887   6.668   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      26.220   7.438   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      24.887   5.128   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0      23.553   8.978   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                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   17                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

COMPND    HMDB0260312
HETATM    1  C1  UNL     1       6.286   1.217   2.122  1.00  0.00           C  
HETATM    2  O1  UNL     1       5.603   1.708   0.969  1.00  0.00           O  
HETATM    3  C2  UNL     1       4.822   0.384   0.306  1.00  0.00           C  
HETATM    4  O2  UNL     1       5.143  -0.334   1.176  1.00  0.00           O  
HETATM    5  C3  UNL     1       4.251   0.833  -0.837  1.00  0.00           C  
HETATM    6  N1  UNL     1       2.764   0.695  -1.033  1.00  0.00           N  
HETATM    7  C4  UNL     1       2.162  -0.450  -0.406  1.00  0.00           C  
HETATM    8  O3  UNL     1       2.780  -1.102   0.404  1.00  0.00           O  
HETATM    9  C5  UNL     1       0.810  -0.767  -0.815  1.00  0.00           C  
HETATM   10  C6  UNL     1       0.507  -2.171  -0.137  1.00  0.00           C  
HETATM   11  S1  UNL     1      -1.123  -2.768  -0.745  1.00  0.00           S  
HETATM   12  N2  UNL     1      -0.322  -0.027  -0.672  1.00  0.00           N  
HETATM   13  C7  UNL     1      -1.461   0.733  -0.563  1.00  0.00           C  
HETATM   14  O4  UNL     1      -1.956   1.436  -1.521  1.00  0.00           O  
HETATM   15  C8  UNL     1      -2.256   0.768   0.676  1.00  0.00           C  
HETATM   16  C9  UNL     1      -3.428  -0.225   0.586  1.00  0.00           C  
HETATM   17  C10 UNL     1      -4.332  -0.140  -0.539  1.00  0.00           C  
HETATM   18  N3  UNL     1      -5.281  -1.309  -0.459  1.00  0.00           N  
HETATM   19  C11 UNL     1      -5.179   0.994  -0.699  1.00  0.00           C  
HETATM   20  O5  UNL     1      -6.231   0.636  -1.638  1.00  0.00           O  
HETATM   21  O6  UNL     1      -5.423   2.228  -0.362  1.00  0.00           O  
HETATM   22  H1  UNL     1       6.880   0.332   1.951  1.00  0.00           H  
HETATM   23  H2  UNL     1       5.831   1.384   3.084  1.00  0.00           H  
HETATM   24  H3  UNL     1       7.162   2.055   2.141  1.00  0.00           H  
HETATM   25  H4  UNL     1       4.492   1.875  -1.241  1.00  0.00           H  
HETATM   26  H5  UNL     1       4.527   0.232  -1.797  1.00  0.00           H  
HETATM   27  H6  UNL     1       2.242   1.421  -1.514  1.00  0.00           H  
HETATM   28  H7  UNL     1       0.954  -1.138  -1.923  1.00  0.00           H  
HETATM   29  H8  UNL     1       0.517  -2.152   0.938  1.00  0.00           H  
HETATM   30  H9  UNL     1       1.231  -2.866  -0.598  1.00  0.00           H  
HETATM   31  H10 UNL     1      -1.060  -4.168  -1.031  1.00  0.00           H  
HETATM   32  H11 UNL     1       0.241   0.950  -1.498  1.00  0.00           H  
HETATM   33  H12 UNL     1      -1.688   0.536   1.618  1.00  0.00           H  
HETATM   34  H13 UNL     1      -2.685   1.776   0.844  1.00  0.00           H  
HETATM   35  H14 UNL     1      -3.067  -1.247   0.755  1.00  0.00           H  
HETATM   36  H15 UNL     1      -4.037   0.064   1.533  1.00  0.00           H  
HETATM   37  H16 UNL     1      -3.788  -0.373  -1.497  1.00  0.00           H  
HETATM   38  H17 UNL     1      -4.683  -2.134  -0.772  1.00  0.00           H  
HETATM   39  H18 UNL     1      -5.500  -1.376   0.540  1.00  0.00           H  
HETATM   40  H19 UNL     1      -5.704   2.492   0.591  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3
CONECT    3    4    4    5
CONECT    5    6   25   26
CONECT    6    7   27
CONECT    7    8    8    9
CONECT    9   10   12   28
CONECT   10   11   29   30
CONECT   11   31
CONECT   12   13   32
CONECT   13   14   14   15
CONECT   15   16   33   34
CONECT   16   17   35   36
CONECT   17   18   19   37
CONECT   18   38   39
CONECT   19   20   20   21
CONECT   21   40
END

HMDB0260312
     RDKit          3D
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester
 40 39  0  0  0  0  0  0  0  0999 V2000
    6.2864    1.2167    2.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6026    1.7079    0.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220    0.3840    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1426   -0.3343    1.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2515    0.8333   -0.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7635    0.6946   -1.0328 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1615   -0.4500   -0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7802   -1.1023    0.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -0.7672   -0.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069   -2.1707   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1234   -2.7684   -0.7453 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3223   -0.0270   -0.6723 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4611    0.7325   -0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9559    1.4365   -1.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560    0.7685    0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4277   -0.2253    0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3323   -0.1401   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2807   -1.3086   -0.4586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1792    0.9939   -0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2314    0.6356   -1.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4228    2.2278   -0.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8797    0.3323    1.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8315    1.3843    3.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1617    2.0549    2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4916    1.8751   -1.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.2316   -1.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2422    1.4207   -1.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542   -1.1381   -1.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5171   -2.1519    0.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308   -2.8660   -0.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0597   -4.1685   -1.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2407    0.9496   -1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882    0.5356    1.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6845    1.7764    0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0673   -1.2469    0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0368    0.0639    1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875   -0.3731   -1.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6828   -2.1340   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5001   -1.3759    0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7045    2.4924    0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  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
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 11 31  1  0
 12 32  1  0
 15 33  1  0
 15 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  0
 18 38  1  0
 18 39  1  0
 21 40  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Amino-4-({1-[(2-methoxy-2-oxoethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl)butanoate	HMDB
2-Amino-4-({1-[(2-methoxy-2-oxoethyl)-C-hydroxycarbonimidoyl]-2-sulphanylethyl}-C-hydroxycarbonimidoyl)butanoate	HMDB
2-Amino-4-({1-[(2-methoxy-2-oxoethyl)-C-hydroxycarbonimidoyl]-2-sulphanylethyl}-C-hydroxycarbonimidoyl)butanoic acid	HMDB

Chemical Formula

C₁₁H₁₉N₃O₆S

Average Molecular Weight

321.35

Monoisotopic Molecular Weight

321.099456518

IUPAC Name

2-amino-4-({1-[(2-methoxy-2-oxoethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid

Traditional Name

2-amino-4-({1-[(2-methoxy-2-oxoethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid

CAS Registry Number

Not Available

SMILES

COC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(O)=O

InChI Identifier

InChI=1S/C11H19N3O6S/c1-20-9(16)4-13-10(17)7(5-21)14-8(15)3-2-6(12)11(18)19/h6-7,21H,2-5,12H2,1H3,(H,13,17)(H,14,15)(H,18,19)

InChI Key

GZFOMNDCXQBAAX-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
Gamma-glutamyl alpha peptide
Glutamine or derivatives
Alpha-amino acid ester
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Cysteine or derivatives
Alpha-amino acid
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Dicarboxylic acid or derivatives
Fatty amide
Fatty acyl
N-acyl-amine
Fatty acid
Methyl ester
Secondary carboxylic acid amide
Amino acid
Amino acid or derivatives
Carboxamide group
Carboxylic acid ester
Carboxylic acid
Alkylthiol
Organooxygen compound
Organosulfur compound
Carbonyl group
Primary amine
Amine
Hydrocarbon derivative
Organonitrogen compound
Organic nitrogen compound
Primary aliphatic amine
Organic oxygen compound
Organic oxide
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	-2.6	ALOGPS
logP	-4.6	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	1.94	ChemAxon
pKa (Strongest Basic)	9.22	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	147.82 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	73.88 m³·mol⁻¹	ChemAxon
Polarizability	31.46 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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
AllCCS	[M+H]+	169.075	32859911
AllCCS	[M+H-H2O]+	166.416	32859911
AllCCS	[M+Na]+	172.232	32859911
AllCCS	[M+NH4]+	171.529	32859911
AllCCS	[M-H]-	170.981	32859911
AllCCS	[M+Na-2H]-	171.532	32859911
AllCCS	[M+HCOO]-	172.256	32859911
DeepCCS	[M+H]+	173.779	30932474
DeepCCS	[M-H]-	171.421	30932474
DeepCCS	[M-2H]-	204.307	30932474
DeepCCS	[M+Na]+	179.873	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester	COC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(O)=O	3844.9	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester	COC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(O)=O	2255.4	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester	COC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(O)=O	3088.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #1	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2835.4	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #1	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2754.5	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #1	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	4832.8	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #10	COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2962.3	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #10	COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2658.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #10	COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4166.4	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #11	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2730.9	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #11	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2650.6	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #11	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4399.3	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #2	COC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2782.3	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #2	COC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2601.7	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #2	COC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3955.8	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #3	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2733.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #3	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2599.8	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #3	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4237.3	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #4	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2710.8	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #4	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2667.2	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #4	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4216.9	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #5	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O	2913.9	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #5	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O	2758.1	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #5	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O	4634.5	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #6	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C	2833.3	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #6	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C	2792.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #6	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C	4963.4	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #7	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2804.6	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #7	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2824.1	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #7	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	5013.0	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #8	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2829.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #8	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2589.9	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #8	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4036.1	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #9	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2784.8	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #9	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2668.6	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TMS,isomer #9	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4035.1	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #1	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2880.2	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #1	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2791.8	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #1	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4029.9	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #10	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3049.8	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #10	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2875.1	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #10	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4164.0	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #11	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2808.5	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #11	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2880.2	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #11	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4570.7	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #12	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2782.5	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #12	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2736.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #12	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3746.8	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #13	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2954.8	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #13	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2731.4	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #13	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3830.4	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #14	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2947.1	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #14	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2806.8	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #14	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3823.8	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #2	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2788.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #2	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2796.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #2	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4407.0	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2773.1	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2831.9	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4432.3	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #4	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2763.4	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #4	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2670.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #4	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3688.1	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #5	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2736.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #5	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2752.2	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #5	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3676.4	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #6	COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2939.5	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #6	COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2731.2	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #6	COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3780.4	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #7	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2696.7	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #7	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2732.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #7	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3936.9	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #8	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2880.5	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #8	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2818.2	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #8	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4057.1	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #9	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2860.6	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #9	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2858.3	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TMS,isomer #9	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4104.0	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2831.4	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2848.3	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3574.3	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #10	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3004.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #10	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2972.2	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #10	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3777.6	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #11	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2946.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #11	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2883.5	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #11	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3631.4	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #2	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2794.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #2	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2882.5	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #2	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3599.9	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2991.9	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2880.4	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3731.2	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #4	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2772.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #4	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2878.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #4	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4100.7	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #5	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2701.6	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #5	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2820.5	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #5	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3502.2	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #6	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2892.8	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #6	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2788.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #6	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3595.9	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #7	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2906.4	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #7	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2875.7	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #7	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3581.8	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #8	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2833.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #8	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	2908.7	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #8	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3691.7	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #9	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3039.1	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #9	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2935.5	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TMS,isomer #9	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3739.7	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2782.8	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2942.5	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3258.9	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #2	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2974.9	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #2	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2937.8	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #2	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3362.7	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2974.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2972.7	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3382.1	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #4	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2915.5	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #4	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2945.3	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #4	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3436.8	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #5	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3010.1	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #5	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3028.3	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TMS,isomer #5	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3452.6	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,6TMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2980.4	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,6TMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3040.4	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,6TMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3141.0	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #1	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3291.2	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #1	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3191.2	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #1	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	4613.6	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #10	COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3385.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #10	COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3020.4	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #10	COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4088.9	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #11	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3220.5	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #11	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3039.1	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #11	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4315.3	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #2	COC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3241.1	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #2	COC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3002.6	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #2	COC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3985.1	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #3	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3228.1	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #3	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3010.4	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #3	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4230.4	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #4	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3209.2	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #4	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3058.4	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #4	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4199.9	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #5	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3359.3	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #5	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3158.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #5	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O	4364.1	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #6	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3331.5	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #6	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3206.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #6	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	4719.2	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #7	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3305.7	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #7	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3219.6	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #7	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	4728.1	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #8	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3293.7	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #8	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2985.9	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #8	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4039.2	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #9	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3284.9	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #9	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3047.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,2TBDMS,isomer #9	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4025.5	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #1	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3541.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #1	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3358.7	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #1	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3965.9	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #10	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3693.9	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #10	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3398.5	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #10	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4062.1	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #11	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3511.6	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #11	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3418.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #11	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4397.7	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #12	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3458.7	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #12	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3280.6	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #12	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3903.0	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #13	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3598.1	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #13	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3249.9	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #13	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3940.9	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #14	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3600.1	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #14	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3318.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #14	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3923.6	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #2	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3513.8	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #2	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3371.8	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #2	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4279.7	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3506.8	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3400.9	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4282.3	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #4	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3447.8	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #4	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3218.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #4	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3856.6	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #5	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3424.2	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #5	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3292.1	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #5	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3833.8	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #6	COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3583.4	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #6	COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3272.3	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #6	COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3897.3	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #7	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3397.9	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #7	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3284.9	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #7	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4048.6	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #8	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3585.2	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #8	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3368.2	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #8	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4007.9	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #9	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3576.3	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #9	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3392.9	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,3TBDMS,isomer #9	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4033.6	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3715.5	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3534.3	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3765.6	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #10	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3896.3	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #10	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3609.7	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #10	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3867.0	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #11	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3786.3	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #11	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3547.4	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #11	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3843.5	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #2	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3716.4	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #2	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3557.4	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #2	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3773.4	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3886.7	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3570.8	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3830.3	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #4	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3702.2	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #4	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3577.8	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #4	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4101.6	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #5	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3600.1	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #5	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3509.3	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #5	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3768.3	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #6	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3794.0	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #6	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3479.1	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #6	COC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3814.7	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #7	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3789.4	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #7	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3552.7	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #7	COC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3792.5	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #8	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3739.2	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #8	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3577.8	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #8	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3859.1	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #9	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3894.8	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #9	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3588.0	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,4TBDMS,isomer #9	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3849.4	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3885.1	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3730.8	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #1	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3648.4	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #2	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4076.8	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #2	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3747.3	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #2	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3660.0	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4092.1	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3763.6	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #3	COC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3673.5	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #4	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3950.2	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #4	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3763.7	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #4	COC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3789.6	Standard polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #5	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4081.2	Semi standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #5	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3794.5	Standard non polar	33892256
Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester,5TBDMS,isomer #5	COC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3717.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester GC-MS (Non-derivatized) - 70eV, Positive	splash10-053r-3490000000-793fac7a4fdc73af7a2a	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	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

64882153

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13960592

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 Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester (HMDB0260312)

MOL for HMDB0260312 (Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester)

3D MOL for HMDB0260312 (Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester)

3D SDF for HMDB0260312 (Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester)

3D-SDF for HMDB0260312 (Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester)

PDB for HMDB0260312 (Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester)

3D PDB for HMDB0260312 (Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester)

SMILES for HMDB0260312 (Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester)

INCHI for HMDB0260312 (Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester)

Structure for HMDB0260312 (Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester)

3D Structure for HMDB0260312 (Glycine, L-g-glutamyl-L-cysteinyl-, 3-methyl ester)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

NMR Spectra