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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 06:20:20 UTC

Update Date

2021-09-26 23:00:38 UTC

HMDB ID

HMDB0249634

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Carbocysteine-lysine

Description

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

Structure

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

HMDB0249634
     RDKit          3D
Carbocysteine-lysine
 41 40  0  0  0  0  0  0  0  0999 V2000
    4.6084    1.7901    1.2655 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312    1.0975    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4680    1.1681   -0.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3146    0.5486   -0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284   -0.8927    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3085   -1.4273    0.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1880   -1.2577    0.0646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8476   -0.3568    0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8210    0.3054    1.4555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9858   -0.1847   -0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7922   -1.0517   -1.6705 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2825   -0.5180    0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6517   -0.2934   -0.9704 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7616    1.4851   -1.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1579    2.1973   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2854    2.6208    0.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4907    2.3882    0.1161 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4854   -2.8148    1.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7129   -3.7066    0.9737 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -3.1649    2.2513 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4495    2.8099    1.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9062    1.3204    1.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5408    1.5631   -0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820    0.0306    0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6949    0.6130   -1.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2102    2.2155   -1.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1509    1.1301    0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757    0.6516   -0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561   -1.4430   -0.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4147   -1.0157    0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1704   -0.7522    1.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2004   -1.8257   -0.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0322    0.8543   -0.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2906   -1.9625   -1.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9389   -0.5859   -2.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2407   -1.5687    0.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3895    0.1617    1.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4589    1.6461   -2.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7725    1.8638   -1.7285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1957    2.6768   -0.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6950   -4.1126    2.5325 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
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  6 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 14 38  1  0
 14 39  1  0
 17 40  1  0
 20 41  1  0
M  END

  Mrv1652309112108202D          

 20 19  0  0  0  0            999 V2000
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    2.7474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0249634

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C11H21N3O5S/c12-4-2-1-3-8(11(18)19)14-10(17)7(13)5-20-6-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)

> <INCHI_KEY>
ZXFWVUHYOBPQHY-UHFFFAOYSA-N

> <FORMULA>
C11H21N3O5S

> <MOLECULAR_WEIGHT>
307.37

> <EXACT_MASS>
307.120191962

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
31.47947028561946

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-amino-2-{2-amino-3-[(carboxymethyl)sulfanyl]propanamido}hexanoic acid

> <ALOGPS_LOGP>
-3.87

> <JCHEM_LOGP>
-6.1711661153316255

> <ALOGPS_LOGS>
-1.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.8655965962966174

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.1150964772122247

> <JCHEM_PKA_STRONGEST_BASIC>
10.208281657429756

> <JCHEM_POLAR_SURFACE_AREA>
155.74

> <JCHEM_REFRACTIVITY>
73.7164

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.73e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-amino-2-{2-amino-3-[(carboxymethyl)sulfanyl]propanamido}hexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0249634
     RDKit          3D
Carbocysteine-lysine
 41 40  0  0  0  0  0  0  0  0999 V2000
    4.6084    1.7901    1.2655 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312    1.0975    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4680    1.1681   -0.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3146    0.5486   -0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284   -0.8927    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3085   -1.4273    0.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1880   -1.2577    0.0646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8476   -0.3568    0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8210    0.3054    1.4555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9858   -0.1847   -0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7922   -1.0517   -1.6705 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2825   -0.5180    0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6517   -0.2934   -0.9704 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7616    1.4851   -1.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1579    2.1973   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2854    2.6208    0.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4907    2.3882    0.1161 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4854   -2.8148    1.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7129   -3.7066    0.9737 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -3.1649    2.2513 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4495    2.8099    1.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9062    1.3204    1.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5408    1.5631   -0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820    0.0306    0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6949    0.6130   -1.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2102    2.2155   -1.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1509    1.1301    0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757    0.6516   -0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561   -1.4430   -0.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4147   -1.0157    0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1704   -0.7522    1.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2004   -1.8257   -0.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0322    0.8543   -0.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2906   -1.9625   -1.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9389   -0.5859   -2.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2407   -1.5687    0.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3895    0.1617    1.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4589    1.6461   -2.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7725    1.8638   -1.7285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1957    2.6768   -0.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6950   -4.1126    2.5325 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
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  6 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 14 38  1  0
 14 39  1  0
 17 40  1  0
 20 41  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      12.884   7.438   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.550   6.668   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.216   7.438   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       8.883   6.668   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      14.217   6.668   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.551   7.438   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.551   8.978   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      16.885   9.748   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      14.217   9.748   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      16.885   6.668   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      18.218   7.438   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      18.218   8.978   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      19.552   6.668   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      20.886   7.438   0.000  0.00  0.00           C+0
HETATM   15  S   UNK     0      22.219   6.668   0.000  0.00  0.00           S+0
HETATM   16  C   UNK     0      23.553   7.438   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      24.887   6.668   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      26.220   7.438   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      24.887   5.128   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0      19.552   5.128   0.000  0.00  0.00           N+0
CONECT    1    2    5                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3                                                            
CONECT    5    1    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    6   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   20                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   13                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

COMPND    HMDB0249634
HETATM    1  N1  UNL     1       4.608   1.790   1.266  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.731   1.098   0.002  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.468   1.168  -0.826  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.315   0.549  -0.093  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.528  -0.893   0.239  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.309  -1.427   0.969  1.00  0.00           C  
HETATM    7  N2  UNL     1       0.188  -1.258   0.065  1.00  0.00           N  
HETATM    8  C6  UNL     1      -0.848  -0.357   0.392  1.00  0.00           C  
HETATM    9  O1  UNL     1      -0.821   0.305   1.455  1.00  0.00           O  
HETATM   10  C7  UNL     1      -1.986  -0.185  -0.528  1.00  0.00           C  
HETATM   11  N3  UNL     1      -1.792  -1.052  -1.670  1.00  0.00           N  
HETATM   12  C8  UNL     1      -3.282  -0.518   0.198  1.00  0.00           C  
HETATM   13  S1  UNL     1      -4.652  -0.293  -0.970  1.00  0.00           S  
HETATM   14  C9  UNL     1      -4.762   1.485  -1.384  1.00  0.00           C  
HETATM   15  C10 UNL     1      -5.158   2.197  -0.157  1.00  0.00           C  
HETATM   16  O2  UNL     1      -4.285   2.621   0.623  1.00  0.00           O  
HETATM   17  O3  UNL     1      -6.491   2.388   0.116  1.00  0.00           O  
HETATM   18  C11 UNL     1       1.485  -2.815   1.390  1.00  0.00           C  
HETATM   19  O4  UNL     1       0.713  -3.707   0.974  1.00  0.00           O  
HETATM   20  O5  UNL     1       2.503  -3.165   2.251  1.00  0.00           O  
HETATM   21  H1  UNL     1       4.450   2.810   1.128  1.00  0.00           H  
HETATM   22  H2  UNL     1       3.906   1.320   1.864  1.00  0.00           H  
HETATM   23  H3  UNL     1       5.541   1.563  -0.628  1.00  0.00           H  
HETATM   24  H4  UNL     1       4.982   0.031   0.162  1.00  0.00           H  
HETATM   25  H5  UNL     1       3.695   0.613  -1.773  1.00  0.00           H  
HETATM   26  H6  UNL     1       3.210   2.215  -1.085  1.00  0.00           H  
HETATM   27  H7  UNL     1       2.151   1.130   0.847  1.00  0.00           H  
HETATM   28  H8  UNL     1       1.376   0.652  -0.672  1.00  0.00           H  
HETATM   29  H9  UNL     1       2.756  -1.443  -0.677  1.00  0.00           H  
HETATM   30  H10 UNL     1       3.415  -1.016   0.924  1.00  0.00           H  
HETATM   31  H11 UNL     1       1.170  -0.752   1.851  1.00  0.00           H  
HETATM   32  H12 UNL     1       0.200  -1.826  -0.811  1.00  0.00           H  
HETATM   33  H13 UNL     1      -2.032   0.854  -0.926  1.00  0.00           H  
HETATM   34  H14 UNL     1      -2.291  -1.963  -1.580  1.00  0.00           H  
HETATM   35  H15 UNL     1      -1.939  -0.586  -2.573  1.00  0.00           H  
HETATM   36  H16 UNL     1      -3.241  -1.569   0.541  1.00  0.00           H  
HETATM   37  H17 UNL     1      -3.390   0.162   1.051  1.00  0.00           H  
HETATM   38  H18 UNL     1      -5.459   1.646  -2.233  1.00  0.00           H  
HETATM   39  H19 UNL     1      -3.773   1.864  -1.728  1.00  0.00           H  
HETATM   40  H20 UNL     1      -7.196   2.677  -0.524  1.00  0.00           H  
HETATM   41  H21 UNL     1       2.695  -4.113   2.532  1.00  0.00           H  
CONECT    1    2   21   22
CONECT    2    3   23   24
CONECT    3    4   25   26
CONECT    4    5   27   28
CONECT    5    6   29   30
CONECT    6    7   18   31
CONECT    7    8   32
CONECT    8    9    9   10
CONECT   10   11   12   33
CONECT   11   34   35
CONECT   12   13   36   37
CONECT   13   14
CONECT   14   15   38   39
CONECT   15   16   16   17
CONECT   17   40
CONECT   18   19   19   20
CONECT   20   41
END

HMDB0249634
     RDKit          3D
Carbocysteine-lysine
 41 40  0  0  0  0  0  0  0  0999 V2000
    4.6084    1.7901    1.2655 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312    1.0975    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4680    1.1681   -0.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3146    0.5486   -0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284   -0.8927    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3085   -1.4273    0.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1880   -1.2577    0.0646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8476   -0.3568    0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8210    0.3054    1.4555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9858   -0.1847   -0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7922   -1.0517   -1.6705 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2825   -0.5180    0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6517   -0.2934   -0.9704 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7616    1.4851   -1.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1579    2.1973   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2854    2.6208    0.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4907    2.3882    0.1161 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4854   -2.8148    1.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7129   -3.7066    0.9737 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -3.1649    2.2513 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4495    2.8099    1.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9062    1.3204    1.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5408    1.5631   -0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820    0.0306    0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6949    0.6130   -1.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2102    2.2155   -1.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1509    1.1301    0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757    0.6516   -0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561   -1.4430   -0.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4147   -1.0157    0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1704   -0.7522    1.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2004   -1.8257   -0.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0322    0.8543   -0.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2906   -1.9625   -1.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9389   -0.5859   -2.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2407   -1.5687    0.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3895    0.1617    1.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4589    1.6461   -2.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7725    1.8638   -1.7285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1957    2.6768   -0.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6950   -4.1126    2.5325 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
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  6 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 14 38  1  0
 14 39  1  0
 17 40  1  0
 20 41  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₁H₂₁N₃O₅S

Average Molecular Weight

307.37

Monoisotopic Molecular Weight

307.120191962

IUPAC Name

6-amino-2-{2-amino-3-[(carboxymethyl)sulfanyl]propanamido}hexanoic acid

Traditional Name

6-amino-2-{2-amino-3-[(carboxymethyl)sulfanyl]propanamido}hexanoic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C11H21N3O5S/c12-4-2-1-3-8(11(18)19)14-10(17)7(13)5-20-6-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)

InChI Key

ZXFWVUHYOBPQHY-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Peptides

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-3.9	ALOGPS
logP	-6.2	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	3.12	ChemAxon
pKa (Strongest Basic)	10.21	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	11	ChemAxon
Refractivity	73.72 m³·mol⁻¹	ChemAxon
Polarizability	31.48 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
DeepCCS	[M+H]+	169.734	30932474
DeepCCS	[M-H]-	167.321	30932474
DeepCCS	[M-2H]-	201.004	30932474
DeepCCS	[M+Na]+	177.438	30932474
AllCCS	[M+H]+	166.0	32859911
AllCCS	[M+H-H2O]+	163.4	32859911
AllCCS	[M+NH4]+	168.5	32859911
AllCCS	[M+Na]+	169.2	32859911
AllCCS	[M-H]-	168.6	32859911
AllCCS	[M+Na-2H]-	169.1	32859911
AllCCS	[M+HCOO]-	169.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Carbocysteine-lysine	NCCCCC(NC(=O)C(N)CSCC(O)=O)C(O)=O	3882.9	Standard polar	33892256
Carbocysteine-lysine	NCCCCC(NC(=O)C(N)CSCC(O)=O)C(O)=O	2513.1	Standard non polar	33892256
Carbocysteine-lysine	NCCCCC(NC(=O)C(N)CSCC(O)=O)C(O)=O	2843.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Carbocysteine-lysine,3TMS,isomer #1	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	2754.9	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #1	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	2716.5	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #1	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	4341.3	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #10	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CSCC(=O)O	3036.0	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #10	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CSCC(=O)O	2761.5	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #10	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CSCC(=O)O	4556.7	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #11	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CSCC(=O)O)[Si](C)(C)C	2786.2	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #11	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CSCC(=O)O)[Si](C)(C)C	2721.1	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #11	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CSCC(=O)O)[Si](C)(C)C	4247.4	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2902.6	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2798.2	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4313.9	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #13	C[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2748.0	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #13	C[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2718.1	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #13	C[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4225.6	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #14	C[Si](C)(C)NC(CSCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3066.3	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #14	C[Si](C)(C)NC(CSCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2833.6	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #14	C[Si](C)(C)NC(CSCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4159.9	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #15	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2860.6	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #15	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2813.6	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #15	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	3984.4	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #16	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3034.7	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #16	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2878.0	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #16	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4099.2	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)C(N)CSCC(=O)O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2962.1	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)C(N)CSCC(=O)O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2803.2	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)C(N)CSCC(=O)O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4388.8	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	2886.3	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	2793.9	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	4316.9	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #2	C[Si](C)(C)NCCCCC(NC(=O)C(N)CSCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2822.4	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #2	C[Si](C)(C)NCCCCC(NC(=O)C(N)CSCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2699.1	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #2	C[Si](C)(C)NCCCCC(NC(=O)C(N)CSCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4528.8	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2673.1	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2629.3	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4718.9	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2873.0	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2809.6	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	4102.7	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2887.5	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2837.0	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4446.0	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #6	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	2731.5	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #6	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	2732.1	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #6	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	4309.6	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CSCC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3002.7	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CSCC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2803.3	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CSCC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4670.5	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #8	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CSCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2789.7	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #8	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CSCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2750.3	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #8	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CSCC(=O)O[Si](C)(C)C)[Si](C)(C)C	4320.1	Standard polar	33892256
Carbocysteine-lysine,3TMS,isomer #9	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2890.1	Semi standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #9	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2766.6	Standard non polar	33892256
Carbocysteine-lysine,3TMS,isomer #9	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3967.2	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2838.0	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2817.6	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3608.2	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #10	C[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2934.8	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #10	C[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2846.4	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #10	C[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4149.1	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #11	C[Si](C)(C)NC(CSCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3008.1	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #11	C[Si](C)(C)NC(CSCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2851.1	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #11	C[Si](C)(C)NC(CSCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3719.2	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #12	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CSCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2812.3	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #12	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CSCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2833.9	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #12	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CSCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	3572.7	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #13	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2981.0	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #13	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2900.7	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #13	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3647.1	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #14	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CSCC(=O)O)[Si](C)(C)C	2945.7	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #14	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CSCC(=O)O)[Si](C)(C)C	2828.3	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #14	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CSCC(=O)O)[Si](C)(C)C	4084.4	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2879.3	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2842.9	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4005.0	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #16	C[Si](C)(C)N(CCCCC(NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3191.6	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #16	C[Si](C)(C)N(CCCCC(NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2969.2	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #16	C[Si](C)(C)N(CCCCC(NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3872.9	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #17	C[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2996.7	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #17	C[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2893.6	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #17	C[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3769.5	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #18	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2959.1	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #18	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2935.4	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #18	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3723.4	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2839.6	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2851.1	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4101.9	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #3	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2703.1	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #3	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2755.4	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #3	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4032.2	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CSCC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2970.7	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CSCC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2804.6	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CSCC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4320.6	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #5	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CSCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2746.9	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #5	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CSCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2761.9	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #5	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CSCC(=O)O[Si](C)(C)C)[Si](C)(C)C	4043.3	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #6	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2995.4	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #6	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2887.0	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #6	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3832.6	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #7	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2799.8	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #7	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2857.6	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #7	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3666.9	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #8	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2970.8	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #8	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2932.2	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #8	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3748.4	Standard polar	33892256
Carbocysteine-lysine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2863.4	Semi standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2855.5	Standard non polar	33892256
Carbocysteine-lysine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4089.5	Standard polar	33892256
Carbocysteine-lysine,5TMS,isomer #1	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2973.7	Semi standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #1	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2893.5	Standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #1	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3426.3	Standard polar	33892256
Carbocysteine-lysine,5TMS,isomer #10	C[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2975.0	Semi standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #10	C[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2912.3	Standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #10	C[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3431.9	Standard polar	33892256
Carbocysteine-lysine,5TMS,isomer #11	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2937.2	Semi standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #11	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2949.1	Standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #11	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3378.1	Standard polar	33892256
Carbocysteine-lysine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3160.2	Semi standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3014.6	Standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3590.4	Standard polar	33892256
Carbocysteine-lysine,5TMS,isomer #2	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CSCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2775.5	Semi standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #2	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CSCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2863.1	Standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #2	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CSCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3280.4	Standard polar	33892256
Carbocysteine-lysine,5TMS,isomer #3	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2894.8	Semi standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #3	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2933.2	Standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #3	C[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3326.3	Standard polar	33892256
Carbocysteine-lysine,5TMS,isomer #4	C[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2856.4	Semi standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #4	C[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2882.7	Standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #4	C[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3841.0	Standard polar	33892256
Carbocysteine-lysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2903.1	Semi standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2862.3	Standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3915.9	Standard polar	33892256
Carbocysteine-lysine,5TMS,isomer #6	C[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3150.9	Semi standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #6	C[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3006.0	Standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #6	C[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3576.5	Standard polar	33892256
Carbocysteine-lysine,5TMS,isomer #7	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2970.7	Semi standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #7	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2932.1	Standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #7	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3503.0	Standard polar	33892256
Carbocysteine-lysine,5TMS,isomer #8	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2931.4	Semi standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #8	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2966.8	Standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #8	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3432.6	Standard polar	33892256
Carbocysteine-lysine,5TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3157.4	Semi standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2976.9	Standard non polar	33892256
Carbocysteine-lysine,5TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3495.7	Standard polar	33892256
Carbocysteine-lysine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3111.1	Semi standard non polar	33892256
Carbocysteine-lysine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3012.7	Standard non polar	33892256
Carbocysteine-lysine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3209.4	Standard polar	33892256
Carbocysteine-lysine,6TMS,isomer #2	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2946.3	Semi standard non polar	33892256
Carbocysteine-lysine,6TMS,isomer #2	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2950.0	Standard non polar	33892256
Carbocysteine-lysine,6TMS,isomer #2	C[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3175.5	Standard polar	33892256
Carbocysteine-lysine,6TMS,isomer #3	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CSCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2926.0	Semi standard non polar	33892256
Carbocysteine-lysine,6TMS,isomer #3	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CSCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2974.3	Standard non polar	33892256
Carbocysteine-lysine,6TMS,isomer #3	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CSCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3101.3	Standard polar	33892256
Carbocysteine-lysine,6TMS,isomer #4	C[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3148.2	Semi standard non polar	33892256
Carbocysteine-lysine,6TMS,isomer #4	C[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3050.1	Standard non polar	33892256
Carbocysteine-lysine,6TMS,isomer #4	C[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3307.1	Standard polar	33892256
Carbocysteine-lysine,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3155.5	Semi standard non polar	33892256
Carbocysteine-lysine,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3033.9	Standard non polar	33892256
Carbocysteine-lysine,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3263.5	Standard polar	33892256
Carbocysteine-lysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3161.6	Semi standard non polar	33892256
Carbocysteine-lysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3062.0	Standard non polar	33892256
Carbocysteine-lysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3063.2	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3495.6	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3220.5	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	4209.1	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CSCC(=O)O	3731.8	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CSCC(=O)O	3256.3	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CSCC(=O)O	4358.9	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CSCC(=O)O)[Si](C)(C)C(C)(C)C	3543.9	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CSCC(=O)O)[Si](C)(C)C(C)(C)C	3222.4	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CSCC(=O)O)[Si](C)(C)C(C)(C)C	4177.9	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3607.1	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3258.2	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4174.0	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3455.9	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3215.8	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4145.3	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3751.4	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3312.6	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4077.8	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3606.5	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3244.7	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3965.9	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3760.9	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3319.0	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4029.5	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CSCC(=O)O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3653.6	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CSCC(=O)O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3256.2	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CSCC(=O)O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4259.4	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	3590.1	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	3261.8	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	4195.4	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3579.3	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3224.1	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4341.6	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3430.8	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3173.6	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4570.7	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3628.6	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3275.1	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	4000.3	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3609.2	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3280.5	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4260.6	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3451.8	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3219.7	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	4204.9	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3711.0	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3301.1	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4431.1	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CSCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3544.2	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CSCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3233.2	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CSCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4220.6	Standard polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3623.8	Semi standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3234.8	Standard non polar	33892256
Carbocysteine-lysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3915.0	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3765.5	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3417.6	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3752.7	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3848.6	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3437.9	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4124.3	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3930.6	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3442.3	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3831.8	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CSCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3772.0	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CSCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3415.2	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CSCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3761.8	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=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	3945.4	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=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	3466.3	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=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	3783.1	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CSCC(=O)O)[Si](C)(C)C(C)(C)C	3847.4	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CSCC(=O)O)[Si](C)(C)C(C)(C)C	3438.0	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CSCC(=O)O)[Si](C)(C)C(C)(C)C	4089.1	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3794.9	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3457.6	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4024.0	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(CSCC(=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	4064.7	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(CSCC(=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	3540.1	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(CSCC(=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	3932.1	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3896.7	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3463.0	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3890.4	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3924.2	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3492.4	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3858.3	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN)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	3801.5	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN)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	3439.6	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN)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	4044.1	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3634.4	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3405.4	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4027.5	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3902.3	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3434.1	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4191.2	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CSCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3710.2	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CSCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3410.9	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CSCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4055.0	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3914.0	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3477.6	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3891.1	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3749.4	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3434.0	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3808.6	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=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	3936.1	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=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	3499.3	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=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	3837.3	Standard polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN)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	3793.5	Semi standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN)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	3457.5	Standard non polar	33892256
Carbocysteine-lysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN)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	4071.9	Standard polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4097.8	Semi standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3609.6	Standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3689.6	Standard polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4080.5	Semi standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3623.1	Standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3707.2	Standard polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4114.2	Semi standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3655.4	Standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3671.9	Standard polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4242.5	Semi standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3699.6	Standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3792.7	Standard polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CSCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3886.2	Semi standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CSCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3594.6	Standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CSCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3638.3	Standard polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=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	4098.4	Semi standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=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	3637.9	Standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CSCC(=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	3629.1	Standard polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN)C(=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	3980.6	Semi standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN)C(=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	3632.3	Standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)N(C(CCCCN)C(=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	3936.6	Standard polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4044.5	Semi standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3607.9	Standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CSCC(N)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4012.2	Standard polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4256.2	Semi standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3694.6	Standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CSCC(C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3745.3	Standard polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4072.4	Semi standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3633.7	Standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CSCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3743.1	Standard polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=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	4101.0	Semi standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=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	3664.5	Standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CSCC(=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	3698.5	Standard polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4265.1	Semi standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3668.3	Standard non polar	33892256
Carbocysteine-lysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CSCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3702.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (Non-derivatized) - 70eV, Positive	splash10-01q9-9650000000-269290eba165af13e9a2	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbocysteine-lysine GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-03	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 - Carbocysteine-lysine 10V, Positive-QTOF	splash10-0a4l-0269000000-9c0d2f3ca87d5a43d0aa	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbocysteine-lysine 20V, Positive-QTOF	splash10-001l-6941000000-c5b5b432068dc749f63f	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbocysteine-lysine 40V, Positive-QTOF	splash10-00dl-9200000000-7b593e24e5c9d7121e82	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbocysteine-lysine 10V, Negative-QTOF	splash10-0a4i-0009000000-a7347d2f8c0a4773919a	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbocysteine-lysine 20V, Negative-QTOF	splash10-0292-4941000000-63f8c42db8f9bc12e10b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbocysteine-lysine 40V, Negative-QTOF	splash10-006x-9400000000-7f0ee8fcc8bfd7b393b6	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

64884540

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

78171884

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Carbocysteine-lysine (HMDB0249634)

MOL for HMDB0249634 (Carbocysteine-lysine)

3D MOL for HMDB0249634 (Carbocysteine-lysine)

3D SDF for HMDB0249634 (Carbocysteine-lysine)

3D-SDF for HMDB0249634 (Carbocysteine-lysine)

PDB for HMDB0249634 (Carbocysteine-lysine)

3D PDB for HMDB0249634 (Carbocysteine-lysine)

SMILES for HMDB0249634 (Carbocysteine-lysine)

INCHI for HMDB0249634 (Carbocysteine-lysine)

Structure for HMDB0249634 (Carbocysteine-lysine)

3D Structure for HMDB0249634 (Carbocysteine-lysine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra