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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:19:58 UTC

HMDB ID

HMDB0000709

Secondary Accession Numbers

HMDB00709

Metabolite Identification

Common Name

L-Cysteinylglycine disulfide

Description

L-Cysteinylglycine disulfide, also known as cystinyl-gly, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. L-Cysteinylglycine disulfide has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make L-cysteinylglycine disulfide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on L-Cysteinylglycine disulfide.

Structure

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

HMDB0000709
     RDKit          3D
L-Cysteinylglycine disulfide
 33 32  0  0  0  0  0  0  0  0999 V2000
   -0.6369   -2.3960   -0.1323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1485   -1.5031    0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1052   -0.4547    1.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415    0.5384   -0.1990 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3311   -0.7026   -1.6137 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1128   -0.7321   -1.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282    0.2226   -0.2296 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1537    1.5534   -0.5996 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0334    0.1881   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6437   -0.8766    0.0945 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    1.3103   -0.4306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4021   -0.9128    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9010   -1.2722   -0.7081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1354    0.0738    1.1256 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3564    0.6438    0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2374    1.3309   -0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1456    1.3692   -1.2309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3736    1.9204   -1.1677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0992   -3.3269   -0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9412   -1.9932   -1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3425   -2.1282    1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5932    0.2287    1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7673   -0.8903    1.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888   -1.7411   -1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329   -0.4127   -2.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1771   -0.0944    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138    2.0612    0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430    1.5379   -1.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5871    2.1985    0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7177    0.3712    2.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7266    1.3770    1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1249   -0.1630    0.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8730    2.6742   -0.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  1
  8 27  1  0
  8 28  1  0
 11 29  1  0
 14 30  1  0
 15 31  1  0
 15 32  1  0
 18 33  1  0
M  END

L-cysteinyl-Glycine disulfide.mol
  Mrv1652305231919312D          

 18 17  0  0  0  0            999 V2000
    3.2151    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5006   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 14 15  1  0  0  0  0
 12 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
  8  9  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000709

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CSSCC(N)C(=O)NCC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H15N3O5S2/c9-4(7(14)11-1-6(12)13)2-17-18-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4?,5-/m0/s1

> <INCHI_KEY>
ZHRLECIZINSPKL-AKGZTFGVSA-N

> <FORMULA>
C8H15N3O5S2

> <MOLECULAR_WEIGHT>
297.352

> <EXACT_MASS>
297.045311985

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
28.47418315013663

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-amino-3-({2-amino-2-[(carboxymethyl)carbamoyl]ethyl}disulfanyl)propanoic acid

> <ALOGPS_LOGP>
-3.97

> <JCHEM_LOGP>
-7.006379192040509

> <ALOGPS_LOGS>
-1.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.3603856052279126

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8697789977064456

> <JCHEM_PKA_STRONGEST_BASIC>
9.075518897855446

> <JCHEM_POLAR_SURFACE_AREA>
155.74

> <JCHEM_REFRACTIVITY>
67.67530000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.47e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-amino-3-{[2-amino-2-(carboxymethylcarbamoyl)ethyl]disulfanyl}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000709
     RDKit          3D
L-Cysteinylglycine disulfide
 33 32  0  0  0  0  0  0  0  0999 V2000
   -0.6369   -2.3960   -0.1323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1485   -1.5031    0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1052   -0.4547    1.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415    0.5384   -0.1990 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3311   -0.7026   -1.6137 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1128   -0.7321   -1.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282    0.2226   -0.2296 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1537    1.5534   -0.5996 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0334    0.1881   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6437   -0.8766    0.0945 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    1.3103   -0.4306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4021   -0.9128    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9010   -1.2722   -0.7081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1354    0.0738    1.1256 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3564    0.6438    0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2374    1.3309   -0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1456    1.3692   -1.2309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3736    1.9204   -1.1677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0992   -3.3269   -0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9412   -1.9932   -1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3425   -2.1282    1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5932    0.2287    1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7673   -0.8903    1.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888   -1.7411   -1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329   -0.4127   -2.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1771   -0.0944    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138    2.0612    0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430    1.5379   -1.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5871    2.1985    0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7177    0.3712    2.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7266    1.3770    1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1249   -0.1630    0.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8730    2.6742   -0.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  1
  8 27  1  0
  8 28  1  0
 11 29  1  0
 14 30  1  0
 15 31  1  0
 15 32  1  0
 18 33  1  0
M  END

HEADER    PROTEIN                                 23-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: L-cysteinyl-Glycine disulfide.mol                 
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-MAY-19         0                                  
HETATM    1  C   UNK     0       6.002   1.540   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       7.335  -0.770   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       6.002   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.668  -0.770   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       4.668   2.310   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       7.335   2.310   0.000  0.00  0.00           O+0
HETATM    7  S   UNK     0       3.334   0.000   0.000  0.00  0.00           S+0
HETATM    8  S   UNK     0       2.001  -0.770   0.000  0.00  0.00           S+0
HETATM    9  C   UNK     0       0.667   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.667  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.001   0.000   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -3.334  -0.770   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0      -2.001   1.540   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -4.668   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.002  -0.770   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -6.002  -2.310   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -7.335   0.000   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      -0.667  -2.310   0.000  0.00  0.00           N+0
CONECT    1    3    5    6                                                  
CONECT    2    3                                                            
CONECT    3    2    1    4                                                  
CONECT    4    3    7                                                       
CONECT    5    1                                                            
CONECT    6    1                                                            
CONECT    7    8    4                                                       
CONECT    8    7    9                                                       
CONECT    9   10    8                                                       
CONECT   10    9   11   18                                                  
CONECT   11   12   13   10                                                  
CONECT   12   11   14                                                       
CONECT   13   11                                                            
CONECT   14   15   12                                                       
CONECT   15   16   17   14                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   10                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   34    0
END

COMPND    HMDB0000709
HETATM    1  N1  UNL     1      -0.637  -2.396  -0.132  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.149  -1.503   0.889  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.105  -0.455   1.214  1.00  0.00           C  
HETATM    4  S1  UNL     1       0.342   0.538  -0.199  1.00  0.00           S  
HETATM    5  S2  UNL     1       1.331  -0.703  -1.614  1.00  0.00           S  
HETATM    6  C3  UNL     1       3.113  -0.732  -1.323  1.00  0.00           C  
HETATM    7  C4  UNL     1       3.528   0.223  -0.230  1.00  0.00           C  
HETATM    8  N2  UNL     1       3.154   1.553  -0.600  1.00  0.00           N  
HETATM    9  C5  UNL     1       5.033   0.188  -0.180  1.00  0.00           C  
HETATM   10  O1  UNL     1       5.644  -0.877   0.094  1.00  0.00           O  
HETATM   11  O2  UNL     1       5.806   1.310  -0.431  1.00  0.00           O  
HETATM   12  C6  UNL     1      -2.402  -0.913   0.409  1.00  0.00           C  
HETATM   13  O3  UNL     1      -2.901  -1.272  -0.708  1.00  0.00           O  
HETATM   14  N3  UNL     1      -3.135   0.074   1.126  1.00  0.00           N  
HETATM   15  C7  UNL     1      -4.356   0.644   0.658  1.00  0.00           C  
HETATM   16  C8  UNL     1      -4.237   1.331  -0.642  1.00  0.00           C  
HETATM   17  O4  UNL     1      -3.146   1.369  -1.231  1.00  0.00           O  
HETATM   18  O5  UNL     1      -5.374   1.920  -1.168  1.00  0.00           O  
HETATM   19  H1  UNL     1      -1.099  -3.327  -0.008  1.00  0.00           H  
HETATM   20  H2  UNL     1      -0.941  -1.993  -1.045  1.00  0.00           H  
HETATM   21  H3  UNL     1      -1.343  -2.128   1.793  1.00  0.00           H  
HETATM   22  H4  UNL     1      -0.593   0.229   1.971  1.00  0.00           H  
HETATM   23  H5  UNL     1       0.767  -0.890   1.740  1.00  0.00           H  
HETATM   24  H6  UNL     1       3.489  -1.741  -1.036  1.00  0.00           H  
HETATM   25  H7  UNL     1       3.633  -0.413  -2.251  1.00  0.00           H  
HETATM   26  H8  UNL     1       3.177  -0.094   0.766  1.00  0.00           H  
HETATM   27  H9  UNL     1       2.714   2.061   0.203  1.00  0.00           H  
HETATM   28  H10 UNL     1       2.543   1.538  -1.445  1.00  0.00           H  
HETATM   29  H11 UNL     1       5.587   2.199   0.011  1.00  0.00           H  
HETATM   30  H12 UNL     1      -2.718   0.371   2.048  1.00  0.00           H  
HETATM   31  H13 UNL     1      -4.727   1.377   1.425  1.00  0.00           H  
HETATM   32  H14 UNL     1      -5.125  -0.163   0.601  1.00  0.00           H  
HETATM   33  H15 UNL     1      -5.873   2.674  -0.706  1.00  0.00           H  
CONECT    1    2   19   20
CONECT    2    3   12   21
CONECT    3    4   22   23
CONECT    4    5
CONECT    5    6
CONECT    6    7   24   25
CONECT    7    8    9   26
CONECT    8   27   28
CONECT    9   10   10   11
CONECT   11   29
CONECT   12   13   13   14
CONECT   14   15   30
CONECT   15   16   31   32
CONECT   16   17   17   18
CONECT   18   33
END

HMDB0000709
     RDKit          3D
L-Cysteinylglycine disulfide
 33 32  0  0  0  0  0  0  0  0999 V2000
   -0.6369   -2.3960   -0.1323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1485   -1.5031    0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1052   -0.4547    1.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415    0.5384   -0.1990 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3311   -0.7026   -1.6137 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1128   -0.7321   -1.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282    0.2226   -0.2296 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1537    1.5534   -0.5996 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0334    0.1881   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6437   -0.8766    0.0945 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    1.3103   -0.4306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4021   -0.9128    0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9010   -1.2722   -0.7081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1354    0.0738    1.1256 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3564    0.6438    0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2374    1.3309   -0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1456    1.3692   -1.2309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3736    1.9204   -1.1677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0992   -3.3269   -0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9412   -1.9932   -1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3425   -2.1282    1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5932    0.2287    1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7673   -0.8903    1.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888   -1.7411   -1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329   -0.4127   -2.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1771   -0.0944    0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138    2.0612    0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430    1.5379   -1.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5871    2.1985    0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7177    0.3712    2.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7266    1.3770    1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1249   -0.1630    0.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8730    2.6742   -0.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  1
  8 27  1  0
  8 28  1  0
 11 29  1  0
 14 30  1  0
 15 31  1  0
 15 32  1  0
 18 33  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
L-Cysteinylglycine disulphide	Generator
(R)-N-(3-((2-Amino-2-carboxyethyl)dithio)-ala)-gly	HMDB
3-[[2-Amino-2-[(carboxymethyl)carbamoyl]ethyl]dithio]-alanine	HMDB
Cystinyl-gly	HMDB
Cystinylglycine	HMDB
L-Cysteinyl-glycine disulfide	HMDB
(2R)-2-Amino-3-({2-amino-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}disulfanyl)propanoate	HMDB
(2R)-2-Amino-3-({2-amino-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}disulphanyl)propanoate	HMDB
(2R)-2-Amino-3-({2-amino-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}disulphanyl)propanoic acid	HMDB

Chemical Formula

C₈H₁₅N₃O₅S₂

Average Molecular Weight

297.352

Monoisotopic Molecular Weight

297.045311985

IUPAC Name

(2R)-2-amino-3-({2-amino-2-[(carboxymethyl)carbamoyl]ethyl}disulfanyl)propanoic acid

Traditional Name

(2R)-2-amino-3-{[2-amino-2-(carboxymethylcarbamoyl)ethyl]disulfanyl}propanoic acid

CAS Registry Number

70555-24-7

SMILES

N[C@@H](CSSCC(N)C(=O)NCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C8H15N3O5S2/c9-4(7(14)11-1-6(12)13)2-17-18-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4?,5-/m0/s1

InChI Key

ZHRLECIZINSPKL-AKGZTFGVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
L-cysteine-s-conjugate
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Cysteine or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
L-alpha-amino acid
Dicarboxylic acid or derivatives
Organic disulfide
Amino acid or derivatives
Dialkyldisulfide
Secondary carboxylic acid amide
Carboxamide group
Amino acid
Sulfenyl compound
Carboxylic acid
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Organosulfur compound
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organopnictogen compound
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 7333014)

Excreta

Biofluid or Excreta

Urine (PMID: 10384375)

Cellular substructure

Cytoplasm (HMDB: HMDB0000709)

Source

Endogenous

Endogenous (HMDB: HMDB0000709)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

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	6.47 g/L	ALOGPS
logP	-4	ALOGPS
logP	-7	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	1.87	ChemAxon
pKa (Strongest Basic)	9.08	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	155.74 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	67.68 m³·mol⁻¹	ChemAxon
Polarizability	28.47 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
DarkChem	[M+H]+	165.203	31661259
DarkChem	[M-H]-	161.702	31661259
AllCCS	[M+H]+	159.886	32859911
AllCCS	[M-H]-	159.036	32859911
DeepCCS	[M+H]+	158.883	30932474
DeepCCS	[M-H]-	156.525	30932474
DeepCCS	[M-2H]-	189.478	30932474
DeepCCS	[M+Na]+	164.976	30932474
AllCCS	[M+H]+	159.9	32859911
AllCCS	[M+H-H2O]+	157.2	32859911
AllCCS	[M+NH4]+	162.4	32859911
AllCCS	[M+Na]+	163.1	32859911
AllCCS	[M-H]-	159.0	32859911
AllCCS	[M+Na-2H]-	159.7	32859911
AllCCS	[M+HCOO]-	160.5	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	1.04 minutes	32390414
Predicted by Siyang on May 30, 2022	10.1462 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	9.35 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	463.3 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	503.7 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	271.0 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	32.8 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	169.7 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	75.1 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	310.8 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	242.6 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	987.1 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	592.0 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	45.5 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	770.5 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	189.8 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	261.0 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	702.8 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	610.1 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	485.4 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
L-Cysteinylglycine disulfide	N[C@@H](CSSCC(N)C(=O)NCC(O)=O)C(O)=O	3848.0	Standard polar	33892256
L-Cysteinylglycine disulfide	N[C@@H](CSSCC(N)C(=O)NCC(O)=O)C(O)=O	2350.8	Standard non polar	33892256
L-Cysteinylglycine disulfide	N[C@@H](CSSCC(N)C(=O)NCC(O)=O)C(O)=O	3082.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
L-Cysteinylglycine disulfide,1TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@H](N)C(=O)O	2761.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CSSCC(N)C(=O)NCC(=O)O	2704.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)NCC(=O)O)C(=O)O	2789.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,1TMS,isomer #4	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O)C(=O)NCC(=O)O	2809.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,1TMS,isomer #5	C[Si](C)(C)N(CC(=O)O)C(=O)C(N)CSSC[C@H](N)C(=O)O	2783.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@H](N)C(=O)O[Si](C)(C)C	2735.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	2796.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TMS,isomer #11	C[Si](C)(C)N(C(CSSC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[Si](C)(C)C	2912.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TMS,isomer #12	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	2832.4	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TMS,isomer #2	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C	2786.4	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TMS,isomer #3	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	2789.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@H](N)C(=O)O)[Si](C)(C)C	2755.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TMS,isomer #5	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	2755.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TMS,isomer #6	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O	2761.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C	2737.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TMS,isomer #8	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O	2819.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TMS,isomer #9	C[Si](C)(C)N([C@@H](CSSCC(N)C(=O)NCC(=O)O)C(=O)O)[Si](C)(C)C	2908.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #1	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	2756.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #1	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	2698.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #1	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4534.0	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CSSCC(N)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2897.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CSSCC(N)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2699.2	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CSSCC(N)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4771.8	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2764.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2663.2	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4444.0	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H](N)CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2899.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H](N)CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2775.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H](N)CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4575.3	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #13	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	2804.4	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #13	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	2693.6	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #13	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4422.2	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2934.2	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2759.1	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4380.5	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #15	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	2925.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #15	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	2743.0	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #15	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	4331.2	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #16	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	2857.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #16	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	2721.6	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #16	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C	4268.3	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #17	C[Si](C)(C)N(CC(=O)O)C(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2896.2	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #17	C[Si](C)(C)N(CC(=O)O)C(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2776.1	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #17	C[Si](C)(C)N(CC(=O)O)C(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4542.2	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #18	C[Si](C)(C)N(CC(=O)O)C(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2923.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #18	C[Si](C)(C)N(CC(=O)O)C(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2793.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #18	C[Si](C)(C)N(CC(=O)O)C(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4689.3	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2760.4	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2648.9	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4725.6	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #3	C[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2725.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #3	C[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2633.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #3	C[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4832.8	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #4	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C	2829.6	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #4	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C	2704.6	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #4	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C	4354.0	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #5	C[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2912.6	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #5	C[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2797.4	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #5	C[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4760.6	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #6	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2811.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #6	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2711.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #6	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4650.9	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #7	C[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2929.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #7	C[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2761.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #7	C[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4788.5	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #8	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2776.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #8	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2689.1	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #8	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4539.2	Standard polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #9	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O	2811.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #9	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O	2668.9	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TMS,isomer #9	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O	4261.4	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #1	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	2804.4	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #1	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	2742.2	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #1	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3815.8	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #10	C[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2889.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #10	C[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2822.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #10	C[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4264.7	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2914.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2805.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3862.2	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #12	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	2899.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #12	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	2782.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #12	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3866.9	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #13	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	2822.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #13	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	2755.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #13	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3771.1	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2894.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2786.4	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4214.7	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H](N)CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2922.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H](N)CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2824.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H](N)CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4181.7	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #16	C[Si](C)(C)N(C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C	3074.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #16	C[Si](C)(C)N(C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C	2893.6	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #16	C[Si](C)(C)N(C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C	3964.8	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2947.4	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2849.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3915.2	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #18	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	2947.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #18	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	2848.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #18	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3874.5	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@H](N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2869.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@H](N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2830.2	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@H](N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4261.9	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #3	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2752.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #3	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2741.2	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #3	C[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4183.9	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2904.2	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2777.1	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4450.0	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2737.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2721.7	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4207.0	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2923.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2831.7	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3925.5	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #7	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	2919.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #7	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	2830.9	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #7	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3902.7	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #8	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2824.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #8	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2764.4	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #8	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3887.0	Standard polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #9	C[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2931.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #9	C[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2855.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TMS,isomer #9	C[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4381.2	Standard polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2850.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2865.4	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3479.9	Standard polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2917.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2883.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3500.2	Standard polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #11	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	2935.6	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #11	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	2863.9	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #11	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3492.7	Standard polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #12	C[Si](C)(C)N(CC(=O)O)C(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3088.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #12	C[Si](C)(C)N(CC(=O)O)C(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2980.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #12	C[Si](C)(C)N(CC(=O)O)C(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3630.2	Standard polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #2	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	2878.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #2	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	2842.1	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #2	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3507.1	Standard polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #3	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2778.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #3	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2802.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #3	C[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3426.2	Standard polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@H](N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2880.2	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@H](N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2881.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@H](N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3977.8	Standard polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2855.6	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2842.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4024.5	Standard polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #6	C[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3050.6	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #6	C[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2957.0	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #6	C[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3593.6	Standard polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2925.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2897.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3588.1	Standard polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #8	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2925.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #8	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2891.6	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #8	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3553.0	Standard polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3059.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2920.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3580.5	Standard polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3009.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2962.7	Standard non polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3254.2	Standard polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2882.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2925.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3199.5	Standard polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #3	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2888.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #3	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2909.2	Standard non polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #3	C[Si](C)(C)NC(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3211.5	Standard polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3065.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3017.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #4	C[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3317.6	Standard polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3077.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2994.4	Standard non polar	33892256
L-Cysteinylglycine disulfide,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3279.8	Standard polar	33892256
L-Cysteinylglycine disulfide,7TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3079.8	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,7TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3039.0	Standard non polar	33892256
L-Cysteinylglycine disulfide,7TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3077.2	Standard polar	33892256
L-Cysteinylglycine disulfide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@H](N)C(=O)O	3048.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CSSCC(N)C(=O)NCC(=O)O	2997.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)NCC(=O)O)C(=O)O	3056.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O)C(=O)NCC(=O)O	3065.8	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(N)CSSC[C@H](N)C(=O)O	3066.4	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	3204.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3281.2	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(CSSC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3382.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3305.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3278.6	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3288.4	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3272.2	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3250.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3238.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3244.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O	3300.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N([C@@H](CSSCC(N)C(=O)NCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3369.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3435.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3264.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4351.6	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CSSCC(N)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3593.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CSSCC(N)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3274.4	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CSSCC(N)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4496.4	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3452.4	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3217.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4323.6	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3560.6	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3314.4	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4368.0	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3457.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3246.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4306.2	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3612.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3294.9	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4204.2	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3615.8	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3277.2	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	4163.6	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3509.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3239.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4155.5	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3565.8	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3285.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4367.6	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3585.2	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3326.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4474.1	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3465.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3227.1	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4478.7	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3417.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3228.9	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4677.2	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3516.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3241.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4163.5	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3599.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3328.4	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4489.9	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3492.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3275.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4455.8	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3621.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3298.1	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4501.0	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3482.2	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3258.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4386.6	Standard polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3490.2	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3214.4	Standard non polar	33892256
L-Cysteinylglycine disulfide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	4106.5	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3660.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3394.9	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3862.8	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@@H](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	3792.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@@H](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	3479.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@@H](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	4201.7	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=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	3790.6	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=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	3459.9	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=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	3907.3	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](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)NCC(=O)O	3805.6	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](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)NCC(=O)O	3449.0	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](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)NCC(=O)O	3906.7	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3663.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3399.4	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3874.3	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3777.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3450.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CSSCC(N)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4173.0	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3774.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3496.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CSSCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4156.5	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3923.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3527.4	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3972.2	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=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	3795.3	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=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	3499.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=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	3974.3	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3813.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3472.1	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3941.2	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@H](N)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	3738.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@H](N)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	3486.6	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@H](N)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	4163.2	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3631.4	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3439.9	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4147.5	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@@H](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	3780.6	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@@H](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	3460.2	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(N)CSSC[C@@H](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	4271.4	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=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	3625.8	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=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	3413.0	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(N)C(=O)N(CC(=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	4170.4	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=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	3806.8	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=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	3481.7	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=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	3940.1	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3821.8	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3460.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3921.6	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3689.8	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3428.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3933.8	Standard polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@H](N)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	3795.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@H](N)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	3529.1	Standard non polar	33892256
L-Cysteinylglycine disulfide,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@H](N)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	4276.0	Standard polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=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	3965.7	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=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	3619.2	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)NCC(=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	3718.7	Standard polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=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	3976.4	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=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	3648.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=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	3747.2	Standard polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](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)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4007.8	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](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)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3629.8	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](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)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3743.7	Standard polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4143.1	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3721.2	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3804.2	Standard polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](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)NCC(=O)O[Si](C)(C)C(C)(C)C	3994.4	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](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)NCC(=O)O[Si](C)(C)C(C)(C)C	3603.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](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)NCC(=O)O[Si](C)(C)C(C)(C)C	3732.4	Standard polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3818.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3576.1	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CSSC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3726.1	Standard polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@H](N)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	3945.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@H](N)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	3669.1	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CSSC[C@H](N)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	4039.0	Standard polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@@H](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	3966.8	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@@H](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	3631.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(N)CSSC[C@@H](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	4069.8	Standard polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4143.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3684.2	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3751.8	Standard polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[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	3990.5	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[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	3675.5	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CSSCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[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	3792.7	Standard polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4019.9	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3646.6	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CSSC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3767.2	Standard polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4127.0	Semi standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3676.3	Standard non polar	33892256
L-Cysteinylglycine disulfide,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CSSCC(C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3748.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f7o-9430000000-e9e0ab70f09785eaa562	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (2 TMS) - 70eV, Positive	splash10-00xs-6595000000-2cbf51cceb6d9ca07827	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Cysteinylglycine disulfide GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-05	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 - L-Cysteinylglycine disulfide 10V, Positive-QTOF	splash10-0f7k-2490000000-85bfb9a5b0650bb485c3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Cysteinylglycine disulfide 20V, Positive-QTOF	splash10-05dj-9620000000-3f76a6be3a823ac22a50	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Cysteinylglycine disulfide 40V, Positive-QTOF	splash10-00b9-9500000000-9e6a2740d7fceae8ed9f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Cysteinylglycine disulfide 10V, Negative-QTOF	splash10-0f6t-1590000000-d5fe610ebc224e6eebcc	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Cysteinylglycine disulfide 20V, Negative-QTOF	splash10-00fr-4910000000-dbf0c1f4bd15b89f05c7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Cysteinylglycine disulfide 40V, Negative-QTOF	splash10-00di-9410000000-daf70a655049011a0714	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Cysteinylglycine disulfide 10V, Positive-QTOF	splash10-0002-0090000000-86e0e7c9db0e33b651c0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Cysteinylglycine disulfide 20V, Positive-QTOF	splash10-0c03-1930000000-8fbd16b9de48120ff1e1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Cysteinylglycine disulfide 40V, Positive-QTOF	splash10-05i0-9500000000-f9b517dfe301accd84f4	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Cysteinylglycine disulfide 10V, Negative-QTOF	splash10-004j-0950000000-5bc9ce81fd9730d7a361	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Cysteinylglycine disulfide 20V, Negative-QTOF	splash10-05fr-5900000000-84a6f84141c5ebc9b0e9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-Cysteinylglycine disulfide 40V, Negative-QTOF	splash10-00dl-9400000000-61e2bb4ae425b1eb56fe	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	13.6 +/- 3.6 uM	Adult (>18 years old)	Both	Normal	7333014	details
Blood	Detected and Quantified	<16 uM	Adolescent (13-18 years old)	Not Specified	Normal	10384375	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	30 uM	Adolescent (13-18 years old)	Male	Cystinylglycinuria	10384375	details
Urine	Detected and Quantified	49-72 umol/mmol creatinine	Adolescent (13-18 years old)	Male	Cystinylglycinuria	10384375	details

Associated Disorders and Diseases

Disease References

Cystinylglycinuria
Bellet H, Rejou F, Vallat C, Mion H, Dimeglio A: Cystinylglycinuria: a new neurometabolic disorder? J Inherit Metab Dis. 1999 May;22(3):231-4. [PubMed:10384375 ]

Associated OMIM IDs

179780 (Cystinylglycinuria)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022195

KNApSAcK ID

Not Available

Chemspider ID

17215992

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

5677

PubChem Compound

22833544

PDB ID

Not Available

ChEBI ID

89930

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Weygand, Friedrich; Zumach, Gerhard. Synthesis of cystine peptides by dehydrogenation with vicinal dihalogen derivatives. Zeitschrift fuer Naturforschung (1962), 17b 807-10. CODEN: ZNTFA2 ISSN:0372-9516. CAN 59:3854 AN 1963:403854

Material Safety Data Sheet (MSDS)

Not Available

General References

Perry TL, Hansen S: Cystinylglycine in plasma: diagnostic relevance for pyroglutamic acidemia, homocystinuria, and phenylketonuria. Clin Chim Acta. 1981 Nov 25;117(1):7-12. [PubMed:7333014 ]

Showing metabocard for L-Cysteinylglycine disulfide (HMDB0000709)

MOL for HMDB0000709 (L-Cysteinylglycine disulfide)

3D MOL for HMDB0000709 (L-Cysteinylglycine disulfide)

3D SDF for HMDB0000709 (L-Cysteinylglycine disulfide)

3D-SDF for HMDB0000709 (L-Cysteinylglycine disulfide)

PDB for HMDB0000709 (L-Cysteinylglycine disulfide)

3D PDB for HMDB0000709 (L-Cysteinylglycine disulfide)

SMILES for HMDB0000709 (L-Cysteinylglycine disulfide)

INCHI for HMDB0000709 (L-Cysteinylglycine disulfide)

Structure for HMDB0000709 (L-Cysteinylglycine disulfide)

3D Structure for HMDB0000709 (L-Cysteinylglycine disulfide)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra