Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:53:16 UTC

Update Date

2022-03-07 02:56:12 UTC

HMDB ID

HMDB0039424

Secondary Accession Numbers

HMDB39424

Metabolite Identification

Common Name

(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine

Description

(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 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 (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine.

Structure

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

  Mrv0541 09121200532D          

 26 25  0  0  0  0            999 V2000
   -2.9259   -1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5859   -1.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3280   -1.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3280   -0.2057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5859   -0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8437   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1845   -0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4424   -0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7716    0.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5361    1.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0403    0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003    1.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003   -0.6178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0403   -0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010   -0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4424   -0.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845   -0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2674   -1.5249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3495    1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2674    1.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5253    0.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445   -0.2057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9267    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6687    0.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280    0.5357    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280   -0.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

HMDB0039424
     RDKit          3D
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine
 49 48  0  0  0  0  0  0  0  0999 V2000
   -7.5425   -2.1090   -1.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8217   -2.4765   -1.9002 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6716   -1.1488   -1.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4357   -0.6531   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4436    0.4332   -0.4523 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1689    0.2552    0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9112   -0.7992    0.7366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180    1.2938    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182    0.8068    0.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2852    1.7527    0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3653    1.0813    1.3378 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265    0.7847    0.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7425    1.1414   -0.4682 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250    0.1048    1.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8295   -0.3359    0.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6639   -1.3432   -0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0603   -2.5719    0.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0263   -0.9939   -1.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9336   -1.5081   -1.9696 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5938   -0.0425   -2.4274 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    3.0293    1.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697    3.3406    2.3606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0377    3.8795    0.8836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6081   -0.1125    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6716    1.1325    0.6913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7026   -0.8545    0.7871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9915   -2.6279   -0.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1011   -2.5392   -2.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7624   -1.0263   -1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8673   -0.2726   -2.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6559   -1.5276   -2.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9998   -1.4719    0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7170    1.2866   -0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9584    1.6143   -1.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5071    2.1960    0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325    0.6514    1.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557   -0.1647    0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6472    1.9290   -0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2254    0.8049    2.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9253    0.7945    2.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650   -0.7622    2.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6058   -0.7590    1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4003    0.5668    0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7617   -1.6664   -0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4551   -3.3881   -0.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2534   -2.6623    1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3241    0.0654   -3.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0985    4.8894    1.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1192   -0.8214    1.7051 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  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
  4 24  1  0
 24 25  2  0
 24 26  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  5 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 11 39  1  0
 14 40  1  0
 14 41  1  0
 15 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 17 46  1  0
 20 47  1  0
 23 48  1  0
 26 49  1  0
M  END

  Mrv0541 09121200532D          

 26 25  0  0  0  0            999 V2000
   -2.9259   -1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5859   -1.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3280   -1.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3280   -0.2057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5859   -0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8437   -0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1845   -0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4424   -0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7716    0.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5361    1.2778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0403    0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003    1.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003   -0.6178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0403   -0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010   -0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4424   -0.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845   -0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2674   -1.5249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3495    1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2674    1.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5253    0.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445   -0.2057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9267    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6687    0.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280    0.5357    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280   -0.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039424

> <DATABASE_NAME>
hmdb

> <SMILES>
CSCC(NC(=O)CCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H23N3O8S/c1-26-6-9(14(24)25)17-11(19)5-3-8(13(22)23)16-10(18)4-2-7(15)12(20)21/h7-9H,2-6,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)

> <INCHI_KEY>
GKIHDWYFYBDIIK-UHFFFAOYSA-N

> <FORMULA>
C14H23N3O8S

> <MOLECULAR_WEIGHT>
393.413

> <EXACT_MASS>
393.120585417

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
37.56203372831041

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-[(1-carboxy-3-{[1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}propyl)carbamoyl]butanoic acid

> <ALOGPS_LOGP>
-2.88

> <JCHEM_LOGP>
-4.406843402779467

> <ALOGPS_LOGS>
-2.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.2634169781105147

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9191108272789021

> <JCHEM_PKA_STRONGEST_BASIC>
9.312029653651075

> <JCHEM_POLAR_SURFACE_AREA>
196.11999999999995

> <JCHEM_REFRACTIVITY>
89.0502

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.12e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-[(1-carboxy-3-{[1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}propyl)carbamoyl]butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039424
     RDKit          3D
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine
 49 48  0  0  0  0  0  0  0  0999 V2000
   -7.5425   -2.1090   -1.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8217   -2.4765   -1.9002 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6716   -1.1488   -1.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4357   -0.6531   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4436    0.4332   -0.4523 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1689    0.2552    0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9112   -0.7992    0.7366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180    1.2938    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182    0.8068    0.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2852    1.7527    0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3653    1.0813    1.3378 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265    0.7847    0.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7425    1.1414   -0.4682 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250    0.1048    1.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8295   -0.3359    0.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6639   -1.3432   -0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0603   -2.5719    0.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0263   -0.9939   -1.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9336   -1.5081   -1.9696 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5938   -0.0425   -2.4274 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    3.0293    1.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697    3.3406    2.3606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0377    3.8795    0.8836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6081   -0.1125    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6716    1.1325    0.6913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7026   -0.8545    0.7871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9915   -2.6279   -0.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1011   -2.5392   -2.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7624   -1.0263   -1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8673   -0.2726   -2.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6559   -1.5276   -2.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9998   -1.4719    0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7170    1.2866   -0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9584    1.6143   -1.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5071    2.1960    0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325    0.6514    1.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557   -0.1647    0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6472    1.9290   -0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2254    0.8049    2.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9253    0.7945    2.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650   -0.7622    2.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6058   -0.7590    1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4003    0.5668    0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7617   -1.6664   -0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4551   -3.3881   -0.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2534   -2.6623    1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3241    0.0654   -3.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0985    4.8894    1.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1192   -0.8214    1.7051 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  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
  4 24  1  0
 24 25  2  0
 24 26  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  5 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 11 39  1  0
 14 40  1  0
 14 41  1  0
 15 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 17 46  1  0
 20 47  1  0
 23 48  1  0
 26 49  1  0
M  END

HEADER    PROTEIN                                 12-SEP-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-12         0                                  
HETATM    1  O   UNK     0      -5.462  -3.616   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -6.694  -2.693   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -8.079  -3.462   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0      -8.079  -0.384   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -6.694  -1.153   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.308  -0.539   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.078  -1.308   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.692  -0.384   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -3.307   1.000   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       1.001   2.385   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.075   1.153   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.307   2.077   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0      -1.307  -1.153   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      -0.075  -0.384   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.309  -1.308   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.692  -0.692   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.078  -1.308   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.232  -2.846   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       4.386   3.616   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.232   2.077   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.847   1.461   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0       5.310  -0.384   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       5.463   1.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.848   1.769   0.000  0.00  0.00           C+0
HETATM   25  S   UNK     0       8.079   1.000   0.000  0.00  0.00           S+0
HETATM   26  C   UNK     0       8.079  -1.769   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    5                                                  
CONECT    3    2                                                            
CONECT    4    5                                                            
CONECT    5    2    4    6                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8                                                            
CONECT   10   11                                                            
CONECT   11   10   12   14                                                  
CONECT   12   11                                                            
CONECT   13    8   14                                                       
CONECT   14   11   13   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17                                                            
CONECT   19   20                                                            
CONECT   20   19   21   23                                                  
CONECT   21   20                                                            
CONECT   22   17   23                                                       
CONECT   23   20   22   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   50    0
END

COMPND    HMDB0039424
HETATM    1  C1  UNL     1      -7.543  -2.109  -1.628  1.00  0.00           C  
HETATM    2  S1  UNL     1      -5.822  -2.476  -1.900  1.00  0.00           S  
HETATM    3  C2  UNL     1      -4.672  -1.149  -1.694  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.436  -0.653  -0.293  1.00  0.00           C  
HETATM    5  N1  UNL     1      -3.444   0.433  -0.452  1.00  0.00           N  
HETATM    6  C4  UNL     1      -2.169   0.255   0.120  1.00  0.00           C  
HETATM    7  O1  UNL     1      -1.911  -0.799   0.737  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.118   1.294   0.008  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.118   0.807   0.676  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.285   1.753   0.645  1.00  0.00           C  
HETATM   11  N2  UNL     1       2.365   1.081   1.338  1.00  0.00           N  
HETATM   12  C8  UNL     1       3.626   0.785   0.714  1.00  0.00           C  
HETATM   13  O2  UNL     1       3.742   1.141  -0.468  1.00  0.00           O  
HETATM   14  C9  UNL     1       4.625   0.105   1.525  1.00  0.00           C  
HETATM   15  C10 UNL     1       5.829  -0.336   0.764  1.00  0.00           C  
HETATM   16  C11 UNL     1       5.664  -1.343  -0.301  1.00  0.00           C  
HETATM   17  N3  UNL     1       5.060  -2.572   0.231  1.00  0.00           N  
HETATM   18  C12 UNL     1       5.026  -0.994  -1.557  1.00  0.00           C  
HETATM   19  O3  UNL     1       3.934  -1.508  -1.970  1.00  0.00           O  
HETATM   20  O4  UNL     1       5.594  -0.042  -2.427  1.00  0.00           O  
HETATM   21  C13 UNL     1       1.012   3.029   1.345  1.00  0.00           C  
HETATM   22  O5  UNL     1       1.670   3.341   2.361  1.00  0.00           O  
HETATM   23  O6  UNL     1       0.038   3.879   0.884  1.00  0.00           O  
HETATM   24  C14 UNL     1      -5.608  -0.112   0.399  1.00  0.00           C  
HETATM   25  O7  UNL     1      -5.672   1.133   0.691  1.00  0.00           O  
HETATM   26  O8  UNL     1      -6.703  -0.854   0.787  1.00  0.00           O  
HETATM   27  H1  UNL     1      -7.991  -2.628  -0.772  1.00  0.00           H  
HETATM   28  H2  UNL     1      -8.101  -2.539  -2.529  1.00  0.00           H  
HETATM   29  H3  UNL     1      -7.762  -1.026  -1.687  1.00  0.00           H  
HETATM   30  H4  UNL     1      -4.867  -0.273  -2.365  1.00  0.00           H  
HETATM   31  H5  UNL     1      -3.656  -1.528  -2.035  1.00  0.00           H  
HETATM   32  H6  UNL     1      -4.000  -1.472   0.320  1.00  0.00           H  
HETATM   33  H7  UNL     1      -3.717   1.287  -0.977  1.00  0.00           H  
HETATM   34  H8  UNL     1      -0.958   1.614  -1.043  1.00  0.00           H  
HETATM   35  H9  UNL     1      -1.507   2.196   0.536  1.00  0.00           H  
HETATM   36  H10 UNL     1      -0.132   0.651   1.761  1.00  0.00           H  
HETATM   37  H11 UNL     1       0.456  -0.165   0.273  1.00  0.00           H  
HETATM   38  H12 UNL     1       1.647   1.929  -0.397  1.00  0.00           H  
HETATM   39  H13 UNL     1       2.225   0.805   2.317  1.00  0.00           H  
HETATM   40  H14 UNL     1       4.925   0.795   2.381  1.00  0.00           H  
HETATM   41  H15 UNL     1       4.165  -0.762   2.089  1.00  0.00           H  
HETATM   42  H16 UNL     1       6.606  -0.759   1.490  1.00  0.00           H  
HETATM   43  H17 UNL     1       6.400   0.567   0.357  1.00  0.00           H  
HETATM   44  H18 UNL     1       6.762  -1.666  -0.549  1.00  0.00           H  
HETATM   45  H19 UNL     1       5.455  -3.388  -0.312  1.00  0.00           H  
HETATM   46  H20 UNL     1       5.253  -2.662   1.249  1.00  0.00           H  
HETATM   47  H21 UNL     1       5.324   0.065  -3.381  1.00  0.00           H  
HETATM   48  H22 UNL     1       0.098   4.889   1.037  1.00  0.00           H  
HETATM   49  H23 UNL     1      -7.119  -0.821   1.705  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3
CONECT    3    4   30   31
CONECT    4    5   24   32
CONECT    5    6   33
CONECT    6    7    7    8
CONECT    8    9   34   35
CONECT    9   10   36   37
CONECT   10   11   21   38
CONECT   11   12   39
CONECT   12   13   13   14
CONECT   14   15   40   41
CONECT   15   16   42   43
CONECT   16   17   18   44
CONECT   17   45   46
CONECT   18   19   19   20
CONECT   20   47
CONECT   21   22   22   23
CONECT   23   48
CONECT   24   25   25   26
CONECT   26   49
END

HMDB0039424
     RDKit          3D
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine
 49 48  0  0  0  0  0  0  0  0999 V2000
   -7.5425   -2.1090   -1.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8217   -2.4765   -1.9002 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6716   -1.1488   -1.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4357   -0.6531   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4436    0.4332   -0.4523 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1689    0.2552    0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9112   -0.7992    0.7366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180    1.2938    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182    0.8068    0.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2852    1.7527    0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3653    1.0813    1.3378 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265    0.7847    0.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7425    1.1414   -0.4682 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250    0.1048    1.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8295   -0.3359    0.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6639   -1.3432   -0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0603   -2.5719    0.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0263   -0.9939   -1.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9336   -1.5081   -1.9696 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5938   -0.0425   -2.4274 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    3.0293    1.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697    3.3406    2.3606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0377    3.8795    0.8836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6081   -0.1125    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6716    1.1325    0.6913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7026   -0.8545    0.7871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9915   -2.6279   -0.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1011   -2.5392   -2.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7624   -1.0263   -1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8673   -0.2726   -2.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6559   -1.5276   -2.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9998   -1.4719    0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7170    1.2866   -0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9584    1.6143   -1.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5071    2.1960    0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325    0.6514    1.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557   -0.1647    0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6472    1.9290   -0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2254    0.8049    2.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9253    0.7945    2.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650   -0.7622    2.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6058   -0.7590    1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4003    0.5668    0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7617   -1.6664   -0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4551   -3.3881   -0.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2534   -2.6623    1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3241    0.0654   -3.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0985    4.8894    1.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1192   -0.8214    1.7051 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  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
  4 24  1  0
 24 25  2  0
 24 26  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  5 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 11 39  1  0
 14 40  1  0
 14 41  1  0
 15 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 17 46  1  0
 20 47  1  0
 23 48  1  0
 26 49  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(g-Glutamyl-g-glutamyl)-S-methylcysteine	Generator
(Γ-glutamyl-γ-glutamyl)-S-methylcysteine	Generator
2-Amino-4-[(1-carboxy-3-{[1-carboxy-2-(methylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}propyl)-C-hydroxycarbonimidoyl]butanoate	HMDB
2-Amino-4-[(1-carboxy-3-{[1-carboxy-2-(methylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}propyl)-C-hydroxycarbonimidoyl]butanoate	HMDB
2-Amino-4-[(1-carboxy-3-{[1-carboxy-2-(methylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}propyl)-C-hydroxycarbonimidoyl]butanoic acid	HMDB

Chemical Formula

C₁₄H₂₃N₃O₈S

Average Molecular Weight

393.413

Monoisotopic Molecular Weight

393.120585417

IUPAC Name

2-amino-4-[(1-carboxy-3-{[1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}propyl)carbamoyl]butanoic acid

Traditional Name

2-amino-4-[(1-carboxy-3-{[1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}propyl)carbamoyl]butanoic acid

CAS Registry Number

102148-93-6

SMILES

CSCC(NC(=O)CCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C14H23N3O8S/c1-26-6-9(14(24)25)17-11(19)5-3-8(13(22)23)16-10(18)4-2-7(15)12(20)21/h7-9H,2-6,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)

InChI Key

GKIHDWYFYBDIIK-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-amino acid
Glutamine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Cysteine or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
Tricarboxylic acid or derivatives
N-acyl-amine
Fatty acyl
Fatty amide
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Dialkylthioether
Carboxylic acid
Thioether
Sulfenyl compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Organosulfur compound
Primary amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039424)
Cytoplasm (HMDB: HMDB0039424)

Source

Exogenous

Exogenous (HMDB: HMDB0039424)

Food

Pulse

Pulses (FooDB: FOOD00867)

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
Water Solubility	2.12 g/L	ALOGPS
logP	-2.9	ALOGPS
logP	-4.4	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	1.92	ChemAxon
pKa (Strongest Basic)	9.31	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	196.12 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	89.05 m³·mol⁻¹	ChemAxon
Polarizability	37.56 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	192.873	31661259
DarkChem	[M-H]-	185.996	31661259
DeepCCS	[M+H]+	185.551	30932474
DeepCCS	[M-H]-	183.037	30932474
DeepCCS	[M-2H]-	217.483	30932474
DeepCCS	[M+Na]+	193.772	30932474
AllCCS	[M+H]+	185.6	32859911
AllCCS	[M+H-H2O]+	183.5	32859911
AllCCS	[M+NH4]+	187.4	32859911
AllCCS	[M+Na]+	187.9	32859911
AllCCS	[M-H]-	183.8	32859911
AllCCS	[M+Na-2H]-	184.3	32859911
AllCCS	[M+HCOO]-	185.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C(O)=O	4244.1	Standard polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C(O)=O	2853.8	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(O)=O)C(O)=O)C(O)=O	3674.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,1TMS,isomer #1	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O	3298.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,1TMS,isomer #2	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	3294.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,1TMS,isomer #3	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	3282.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,1TMS,isomer #4	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O)C(=O)O	3433.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,1TMS,isomer #5	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	3329.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,1TMS,isomer #6	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O	3331.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #1	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3251.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #10	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O)C(=O)O[Si](C)(C)C	3347.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #11	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O)[Si](C)(C)C	3266.4	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #12	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3252.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #13	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O)[Si](C)(C)C	3358.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #14	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	3358.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #15	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O	3509.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #16	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3244.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #2	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	3246.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #3	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O	3351.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #4	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3241.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #5	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3240.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #6	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3243.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #7	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O	3361.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #8	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3263.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TMS,isomer #9	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O	3271.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #1	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3196.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #10	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O	3428.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #11	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3199.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #12	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3288.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #13	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3213.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #14	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3214.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #15	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3291.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #16	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	3288.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #17	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3451.4	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #18	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3215.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #19	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O)[Si](C)(C)C	3299.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #2	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3285.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #20	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3267.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #21	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	3438.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #22	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3207.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #23	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3252.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #24	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3413.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #25	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3419.4	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #3	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3218.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #4	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3222.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #5	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	3279.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #6	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3210.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #7	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3211.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #8	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3285.4	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TMS,isomer #9	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3269.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #1	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3242.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #1	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3152.1	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #10	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	3380.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #10	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C	3213.2	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #11	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3180.4	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #11	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3187.6	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #12	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3232.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #12	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3249.7	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #13	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3386.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #13	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3279.0	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #14	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3391.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #14	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3260.8	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #15	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3248.4	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #15	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3187.8	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #16	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3235.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #16	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3169.1	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #17	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3405.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #17	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3219.0	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #18	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3178.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #18	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3192.9	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #19	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3243.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #19	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3232.6	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #2	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3141.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #2	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3153.0	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #20	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3400.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #20	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3283.1	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #21	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3400.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #21	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3259.7	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #22	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3237.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #22	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3234.9	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #23	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3404.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #23	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3281.0	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #24	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3388.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #24	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3266.3	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #25	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3400.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #25	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3330.1	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #3	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3136.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #3	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3130.4	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #4	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3253.4	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #4	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3205.1	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #5	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3245.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #5	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3184.2	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #6	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3389.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #6	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	3213.1	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #7	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3186.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #7	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3187.1	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #8	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3248.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #8	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3204.6	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #9	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3232.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TMS,isomer #9	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3188.6	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #1	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3191.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #1	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3227.6	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #10	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3346.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #10	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3280.8	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #11	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)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	3394.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #11	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)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	3349.2	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #12	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3211.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #12	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3254.9	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #13	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3358.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #13	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3297.3	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #14	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3341.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #14	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3279.3	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #15	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[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	3396.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #15	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[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	3348.5	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #16	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3392.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #16	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3350.3	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #2	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3168.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #2	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3208.2	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #3	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3348.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #3	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3237.1	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #4	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3107.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #4	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3217.4	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #5	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[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	3205.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #5	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[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	3270.1	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #6	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3358.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #6	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3297.0	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #7	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O	3351.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #7	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O	3281.9	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #8	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3200.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #8	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3271.8	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #9	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3354.4	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,5TMS,isomer #9	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3299.3	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,6TMS,isomer #1	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[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	3158.4	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,6TMS,isomer #1	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[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	3301.8	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,6TMS,isomer #2	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3315.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,6TMS,isomer #2	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3325.5	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,6TMS,isomer #3	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O[Si](C)(C)C	3311.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,6TMS,isomer #3	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O[Si](C)(C)C	3307.3	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,6TMS,isomer #4	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[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	3364.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,6TMS,isomer #4	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[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	3371.4	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,6TMS,isomer #5	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)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	3357.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,6TMS,isomer #5	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)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	3373.0	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,6TMS,isomer #6	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[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	3347.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,6TMS,isomer #6	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[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	3370.8	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,7TMS,isomer #1	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[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	3329.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,7TMS,isomer #1	CSCC(C(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[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	3408.3	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,1TBDMS,isomer #1	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	3549.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,1TBDMS,isomer #2	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3553.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,1TBDMS,isomer #3	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3538.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,1TBDMS,isomer #4	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O)C(=O)O	3647.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,1TBDMS,isomer #5	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3580.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,1TBDMS,isomer #6	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3582.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #1	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3745.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #10	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3808.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #11	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3755.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #12	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3751.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #13	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3829.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #14	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3837.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #15	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	3927.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #16	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3757.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #2	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3742.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #3	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	3792.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #4	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3741.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #5	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3737.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #6	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3753.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #7	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3808.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #8	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3760.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,2TBDMS,isomer #9	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3752.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #1	CSCC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3925.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #10	CSCC(NC(=O)CCC(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)C(=O)O)C(=O)O	4113.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #11	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)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	3933.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #12	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3992.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #13	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3924.4	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #14	CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3920.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #15	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3999.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #16	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O	3989.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #17	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4114.4	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #18	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[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	3934.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #19	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	4004.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #2	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3978.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #20	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3993.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #21	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4115.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #22	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3936.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #23	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)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	3994.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #24	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4116.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #25	CSCC(NC(=O)CCC(C(=O)O)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)C(=O)O	4117.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #3	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3931.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #4	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O	3919.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #5	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3979.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #6	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3927.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #7	CSCC(NC(=O)CCC(C(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3921.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #8	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3981.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,3TBDMS,isomer #9	CSCC(NC(=O)CCC(C(=O)O)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)C(=O)O	3973.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #1	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4113.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #1	CSCC(NC(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3768.7	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #10	CSCC(NC(=O)CCC(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)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4312.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #10	CSCC(NC(=O)CCC(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)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3824.5	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #11	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)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	4120.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #11	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)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	3788.3	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #12	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)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	4154.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #12	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)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	3812.6	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #13	CSCC(C(=O)O)N(C(=O)CCC(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)C(=O)O)[Si](C)(C)C(C)(C)C	4323.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #13	CSCC(C(=O)O)N(C(=O)CCC(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)C(=O)O)[Si](C)(C)C(C)(C)C	3859.1	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #14	CSCC(NC(=O)CCC(C(=O)O)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)C(=O)O	4307.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #14	CSCC(NC(=O)CCC(C(=O)O)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)C(=O)O	3846.4	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #15	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4158.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #15	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3800.1	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #16	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O[Si](C)(C)C(C)(C)C	4134.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #16	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O[Si](C)(C)C(C)(C)C	3778.2	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #17	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4302.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #17	CSCC(NC(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3804.4	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #18	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O[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	4114.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #18	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O[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	3803.4	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #19	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[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	4165.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #19	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[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	3813.1	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #2	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4098.6	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #2	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3775.8	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #20	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4311.2	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #20	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3839.3	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #21	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O	4300.4	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #21	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O	3840.2	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #22	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)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	4166.0	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #22	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)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	3814.5	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #23	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4318.5	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #23	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3856.3	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #24	CSCC(NC(=O)CCC(C(=O)O)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)C(=O)O[Si](C)(C)C(C)(C)C	4297.1	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #24	CSCC(NC(=O)CCC(C(=O)O)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)C(=O)O[Si](C)(C)C(C)(C)C	3821.7	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #25	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)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	4320.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #25	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O)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	3860.0	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #3	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O[Si](C)(C)C(C)(C)C	4075.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #3	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O[Si](C)(C)C(C)(C)C	3756.2	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #4	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4143.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #4	CSCC(C(=O)O)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3797.2	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #5	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O	4129.8	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #5	CSCC(NC(=O)CCC(C(=O)O[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)C(=O)O	3796.4	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #6	CSCC(NC(=O)CCC(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)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4308.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #6	CSCC(NC(=O)CCC(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)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3827.6	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #7	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[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	4121.7	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #7	CSCC(C(=O)O)N(C(=O)CCC(C(=O)O[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	3788.3	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #8	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4150.3	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #8	CSCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3812.5	Standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #9	CSCC(NC(=O)CCC(C(=O)O)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)C(=O)O[Si](C)(C)C(C)(C)C	4124.9	Semi standard non polar	33892256
(gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine,4TBDMS,isomer #9	CSCC(NC(=O)CCC(C(=O)O)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)C(=O)O[Si](C)(C)C(C)(C)C	3779.1	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine GC-MS (Non-derivatized) - 70eV, Positive	splash10-001j-6559000000-a0916de51949120a3d5e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine GC-MS (3 TMS) - 70eV, Positive	splash10-00dl-7304790000-f40012eab4689e4593d7	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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 - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 10V, Positive-QTOF	splash10-005a-0119000000-6b218017c3c67fb6fcca	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 20V, Positive-QTOF	splash10-00m1-2669000000-e0d54d8cf17aa8d89ce6	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 40V, Positive-QTOF	splash10-0o70-9532000000-ae9d932628627ec5409a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 10V, Negative-QTOF	splash10-0002-9007000000-5ecc6631b6c84774fc13	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 20V, Negative-QTOF	splash10-0002-9116000000-33b56cd00bf4e8772699	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 40V, Negative-QTOF	splash10-0002-9100000000-3595654665e4625082b4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 10V, Positive-QTOF	splash10-0036-0339000000-6f0faab6f4c262a6a1bb	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 20V, Positive-QTOF	splash10-001i-2963000000-3fa30aab1aed78fc5e4a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 40V, Positive-QTOF	splash10-053r-5930000000-8e165e555443a15d71f6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 10V, Negative-QTOF	splash10-004l-0019000000-36fe17bb1d8210164dea	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 20V, Negative-QTOF	splash10-0002-5794000000-d3b8b58c48d60387cb7e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine 40V, Negative-QTOF	splash10-0f92-4910000000-8b840e1dc2ff4dfbbfb3	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	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

FDB019017

KNApSAcK ID

C00056352

Chemspider ID

35014797

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752644

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 (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine (HMDB0039424)

MOL for HMDB0039424 ((gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine)

3D MOL for HMDB0039424 ((gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine)

3D SDF for HMDB0039424 ((gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine)

3D-SDF for HMDB0039424 ((gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine)

PDB for HMDB0039424 ((gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine)

3D PDB for HMDB0039424 ((gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine)

SMILES for HMDB0039424 ((gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine)

INCHI for HMDB0039424 ((gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine)

Structure for HMDB0039424 ((gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine)

3D Structure for HMDB0039424 ((gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra