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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-06 21:03:46 UTC

Update Date

2021-09-14 15:45:33 UTC

HMDB ID

HMDB0029121

Secondary Accession Numbers

HMDB29121

Metabolite Identification

Common Name

Valylarginine

Description

Valylarginine is a dipeptide composed of valine and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Structure

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

HMDB0029121
     RDKit          3D
Valylarginine
 42 41  0  0  0  0  0  0  0  0999 V2000
   -2.2971    2.2162   -2.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289    1.6217   -0.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2610    2.1036   -0.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8555    0.1120   -0.9531 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4049   -0.2343    0.3614 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5268   -0.4918   -1.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496   -0.4191   -2.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9535   -1.1783    0.0225 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3740   -1.7995   -0.0476 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3524   -1.0361    0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -1.6532    0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7659   -0.9055    1.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851    0.4390    1.1116 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566    1.4938    1.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    1.6373    2.3935 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212    2.3878    0.1989 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2737   -3.2235    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8753   -3.6724    0.6674 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2817   -4.1628    0.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5805    1.6577   -3.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611    3.2388   -2.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1986    2.4419   -2.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2521    1.9983   -0.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9363    1.5961   -1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6530    1.8833    0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3416    3.1967   -1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5426   -0.2946   -1.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8873    0.2253    1.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4861   -1.2685    0.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4821   -1.2559    0.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7464   -1.7179   -1.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889   -0.9338    1.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4411   -0.0219    0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257   -2.7150    1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0888   -1.7386   -0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3878   -0.8959    2.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7009   -1.4792    1.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9029    0.6929    0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6279    0.9849    3.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5841    2.6907   -0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8507    2.7200    0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8573   -4.2400   -0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  3
 14 16  1  0
  9 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  6
  5 28  1  0
  5 29  1  0
  8 30  1  0
  9 31  1  6
 10 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 15 39  1  0
 16 40  1  0
 16 41  1  0
 19 42  1  0
M  END

  Mrv1652304062014242D          

 19 18  0  0  0  0            999 V2000
10023.927210024.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10024.644310024.5123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10025.358710024.1004    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10026.073110024.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10026.787610024.1004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10026.073110025.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10023.213810024.5123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10022.498410024.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10021.784910024.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10022.498410023.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10023.213810025.3371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10023.927210023.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10025.358710023.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10026.074910022.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10027.507410022.8619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10026.791210023.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10028.223610023.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10028.223610024.1025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10028.939910022.8618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  3 13  1  6  0  0  0
 13 14  1  0  0  0  0
 16 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029121

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H23N5O3/c1-6(2)8(12)9(17)16-7(10(18)19)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1

> <INCHI_KEY>
IBIDRSSEHFLGSD-YUMQZZPRSA-N

> <FORMULA>
C11H23N5O3

> <MOLECULAR_WEIGHT>
273.337

> <EXACT_MASS>
273.180089621

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
28.8691003366964

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-amino-3-methylbutanamido]-5-carbamimidamidopentanoic acid

> <ALOGPS_LOGP>
-3.37

> <JCHEM_LOGP>
-2.7995548566144066

> <ALOGPS_LOGS>
-2.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.833652676605805

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.767267244893294

> <JCHEM_PKA_STRONGEST_BASIC>
12.05868888434352

> <JCHEM_POLAR_SURFACE_AREA>
154.32

> <JCHEM_REFRACTIVITY>
80.2161

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.95e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-amino-3-methylbutanamido]-5-carbamimidamidopentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029121
     RDKit          3D
Valylarginine
 42 41  0  0  0  0  0  0  0  0999 V2000
   -2.2971    2.2162   -2.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289    1.6217   -0.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2610    2.1036   -0.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8555    0.1120   -0.9531 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4049   -0.2343    0.3614 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5268   -0.4918   -1.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496   -0.4191   -2.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9535   -1.1783    0.0225 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3740   -1.7995   -0.0476 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3524   -1.0361    0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -1.6532    0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7659   -0.9055    1.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851    0.4390    1.1116 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566    1.4938    1.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    1.6373    2.3935 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212    2.3878    0.1989 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2737   -3.2235    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8753   -3.6724    0.6674 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2817   -4.1628    0.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5805    1.6577   -3.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611    3.2388   -2.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1986    2.4419   -2.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2521    1.9983   -0.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9363    1.5961   -1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6530    1.8833    0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3416    3.1967   -1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5426   -0.2946   -1.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8873    0.2253    1.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4861   -1.2685    0.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4821   -1.2559    0.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7464   -1.7179   -1.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889   -0.9338    1.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4411   -0.0219    0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257   -2.7150    1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0888   -1.7386   -0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3878   -0.8959    2.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7009   -1.4792    1.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9029    0.6929    0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6279    0.9849    3.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5841    2.6907   -0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8507    2.7200    0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8573   -4.2400   -0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  3
 14 16  1  0
  9 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  6
  5 28  1  0
  5 29  1  0
  8 30  1  0
  9 31  1  6
 10 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 15 39  1  0
 16 40  1  0
 16 41  1  0
 19 42  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    8711.3318711.654   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    8712.6698712.423   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    8714.0038711.654   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8715.3368712.423   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0    8716.6708711.654   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8715.3368713.963   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8709.9998712.423   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8708.6648711.654   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8707.3328712.423   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8708.6648710.114   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0    8709.9998713.963   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0    8711.3318710.114   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0    8714.0038710.114   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8715.3408709.342   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0    8718.0148709.342   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0    8716.6778710.114   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8719.3518710.114   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0    8719.3518711.658   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0    8720.6888709.342   0.000  0.00  0.00           N+0
CONECT    1    2    7   12                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   13                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    1    8   11                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    7                                                            
CONECT   12    1                                                            
CONECT   13    3   14                                                       
CONECT   14   13   16                                                       
CONECT   15   16   17                                                       
CONECT   16   14   15                                                       
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

COMPND    HMDB0029121
HETATM    1  C1  UNL     1      -2.297   2.216  -2.239  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.829   1.622  -0.981  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.261   2.104  -0.807  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.855   0.112  -0.953  1.00  0.00           C  
HETATM    5  N1  UNL     1      -3.405  -0.234   0.361  1.00  0.00           N  
HETATM    6  C5  UNL     1      -1.527  -0.492  -1.064  1.00  0.00           C  
HETATM    7  O1  UNL     1      -0.850  -0.419  -2.132  1.00  0.00           O  
HETATM    8  N2  UNL     1      -0.954  -1.178   0.022  1.00  0.00           N  
HETATM    9  C6  UNL     1       0.374  -1.800  -0.048  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.352  -1.036   0.785  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.715  -1.653   0.712  1.00  0.00           C  
HETATM   12  C9  UNL     1       3.766  -0.906   1.513  1.00  0.00           C  
HETATM   13  N3  UNL     1       3.985   0.439   1.112  1.00  0.00           N  
HETATM   14  C10 UNL     1       3.057   1.494   1.283  1.00  0.00           C  
HETATM   15  N4  UNL     1       2.446   1.637   2.394  1.00  0.00           N  
HETATM   16  N5  UNL     1       2.821   2.388   0.199  1.00  0.00           N  
HETATM   17  C11 UNL     1       0.274  -3.224   0.302  1.00  0.00           C  
HETATM   18  O2  UNL     1      -0.875  -3.672   0.667  1.00  0.00           O  
HETATM   19  O3  UNL     1       1.282  -4.163   0.284  1.00  0.00           O  
HETATM   20  H1  UNL     1      -2.581   1.658  -3.139  1.00  0.00           H  
HETATM   21  H2  UNL     1      -2.761   3.239  -2.345  1.00  0.00           H  
HETATM   22  H3  UNL     1      -1.199   2.442  -2.178  1.00  0.00           H  
HETATM   23  H4  UNL     1      -2.252   1.998  -0.112  1.00  0.00           H  
HETATM   24  H5  UNL     1      -4.936   1.596  -1.530  1.00  0.00           H  
HETATM   25  H6  UNL     1      -4.653   1.883   0.202  1.00  0.00           H  
HETATM   26  H7  UNL     1      -4.342   3.197  -1.048  1.00  0.00           H  
HETATM   27  H8  UNL     1      -3.543  -0.295  -1.712  1.00  0.00           H  
HETATM   28  H9  UNL     1      -2.887   0.225   1.121  1.00  0.00           H  
HETATM   29  H10 UNL     1      -3.486  -1.269   0.458  1.00  0.00           H  
HETATM   30  H11 UNL     1      -1.482  -1.256   0.911  1.00  0.00           H  
HETATM   31  H12 UNL     1       0.746  -1.718  -1.108  1.00  0.00           H  
HETATM   32  H13 UNL     1       0.989  -0.934   1.832  1.00  0.00           H  
HETATM   33  H14 UNL     1       1.441  -0.022   0.299  1.00  0.00           H  
HETATM   34  H15 UNL     1       2.726  -2.715   1.099  1.00  0.00           H  
HETATM   35  H16 UNL     1       3.089  -1.739  -0.327  1.00  0.00           H  
HETATM   36  H17 UNL     1       3.388  -0.896   2.561  1.00  0.00           H  
HETATM   37  H18 UNL     1       4.701  -1.479   1.463  1.00  0.00           H  
HETATM   38  H19 UNL     1       4.903   0.693   0.648  1.00  0.00           H  
HETATM   39  H20 UNL     1       2.628   0.985   3.169  1.00  0.00           H  
HETATM   40  H21 UNL     1       3.584   2.691  -0.419  1.00  0.00           H  
HETATM   41  H22 UNL     1       1.851   2.720   0.057  1.00  0.00           H  
HETATM   42  H23 UNL     1       1.857  -4.240  -0.551  1.00  0.00           H  
CONECT    1    2   20   21   22
CONECT    2    3    4   23
CONECT    3   24   25   26
CONECT    4    5    6   27
CONECT    5   28   29
CONECT    6    7    7    8
CONECT    8    9   30
CONECT    9   10   17   31
CONECT   10   11   32   33
CONECT   11   12   34   35
CONECT   12   13   36   37
CONECT   13   14   38
CONECT   14   15   15   16
CONECT   15   39
CONECT   16   40   41
CONECT   17   18   18   19
CONECT   19   42
END

HMDB0029121
     RDKit          3D
Valylarginine
 42 41  0  0  0  0  0  0  0  0999 V2000
   -2.2971    2.2162   -2.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289    1.6217   -0.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2610    2.1036   -0.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8555    0.1120   -0.9531 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4049   -0.2343    0.3614 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5268   -0.4918   -1.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496   -0.4191   -2.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9535   -1.1783    0.0225 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3740   -1.7995   -0.0476 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3524   -1.0361    0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -1.6532    0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7659   -0.9055    1.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851    0.4390    1.1116 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566    1.4938    1.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    1.6373    2.3935 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212    2.3878    0.1989 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2737   -3.2235    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8753   -3.6724    0.6674 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2817   -4.1628    0.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5805    1.6577   -3.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611    3.2388   -2.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1986    2.4419   -2.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2521    1.9983   -0.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9363    1.5961   -1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6530    1.8833    0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3416    3.1967   -1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5426   -0.2946   -1.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8873    0.2253    1.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4861   -1.2685    0.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4821   -1.2559    0.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7464   -1.7179   -1.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889   -0.9338    1.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4411   -0.0219    0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257   -2.7150    1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0888   -1.7386   -0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3878   -0.8959    2.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7009   -1.4792    1.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9029    0.6929    0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6279    0.9849    3.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5841    2.6907   -0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8507    2.7200    0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8573   -4.2400   -0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  3
 14 16  1  0
  9 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  6
  5 28  1  0
  5 29  1  0
  8 30  1  0
  9 31  1  6
 10 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 15 39  1  0
 16 40  1  0
 16 41  1  0
 19 42  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
L-Val-L-arg	ChEBI
V-R	ChEBI
VR	ChEBI
L-Valyl-L-arginine	HMDB
N-L-Valyl-L-arginine	HMDB
N-Valylarginine	HMDB
V-R Dipeptide	HMDB
VR Dipeptide	HMDB
Val-arg	HMDB
Valine arginine dipeptide	HMDB
Valine-arginine dipeptide	HMDB
Valyl-arginine	HMDB
Valylarginine	ChEBI

Chemical Formula

C₁₁H₂₃N₅O₃

Average Molecular Weight

273.337

Monoisotopic Molecular Weight

273.180089621

IUPAC Name

(2S)-2-[(2S)-2-amino-3-methylbutanamido]-5-carbamimidamidopentanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-3-methylbutanamido]-5-carbamimidamidopentanoic acid

CAS Registry Number

37682-75-0

SMILES

CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Identifier

InChI=1S/C11H23N5O3/c1-6(2)8(12)9(17)16-7(10(18)19)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1

InChI Key

IBIDRSSEHFLGSD-YUMQZZPRSA-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
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Valine or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
Branched fatty acid
Fatty acyl
Fatty acid
Fatty amide
N-acyl-amine
Amino acid
Guanidine
Secondary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Monocarboxylic acid or derivatives
Carboximidamide
Primary aliphatic amine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organopnictogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73711 )

Ontology

Not Available

Feces (PMID: 25037050)

Source

Endogenous

Endogenous (HMDB: HMDB0029121)

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	-2.79	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.5 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-2.8	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	3.77	ChemAxon
pKa (Strongest Basic)	12.06	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	154.32 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	80.22 m³·mol⁻¹	ChemAxon
Polarizability	28.87 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	168.556	30932474
DeepCCS	[M-H]-	166.198	30932474
DeepCCS	[M-2H]-	199.084	30932474
DeepCCS	[M+Na]+	174.649	30932474
AllCCS	[M+H]+	162.9	32859911
AllCCS	[M+H-H2O]+	160.0	32859911
AllCCS	[M+NH4]+	165.6	32859911
AllCCS	[M+Na]+	166.4	32859911
AllCCS	[M-H]-	165.0	32859911
AllCCS	[M+Na-2H]-	165.7	32859911
AllCCS	[M+HCOO]-	166.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Valylarginine	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O	3593.3	Standard polar	33892256
Valylarginine	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O	2326.3	Standard non polar	33892256
Valylarginine	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O	2793.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Valylarginine,1TMS,isomer #1	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	2598.9	Semi standard non polar	33892256
Valylarginine,1TMS,isomer #2	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	2676.4	Semi standard non polar	33892256
Valylarginine,1TMS,isomer #3	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O	2793.8	Semi standard non polar	33892256
Valylarginine,1TMS,isomer #4	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	2616.3	Semi standard non polar	33892256
Valylarginine,1TMS,isomer #5	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	2721.7	Semi standard non polar	33892256
Valylarginine,1TMS,isomer #6	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O	2622.6	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	2629.8	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	2282.3	Standard non polar	33892256
Valylarginine,2TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O	2621.1	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O	2343.0	Standard non polar	33892256
Valylarginine,2TMS,isomer #11	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2745.5	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #11	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2412.3	Standard non polar	33892256
Valylarginine,2TMS,isomer #12	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2764.5	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #12	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2499.1	Standard non polar	33892256
Valylarginine,2TMS,isomer #13	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2707.6	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #13	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2310.9	Standard non polar	33892256
Valylarginine,2TMS,isomer #14	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2826.2	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #14	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2508.5	Standard non polar	33892256
Valylarginine,2TMS,isomer #15	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2646.1	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #15	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2393.4	Standard non polar	33892256
Valylarginine,2TMS,isomer #16	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2572.7	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #16	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2368.4	Standard non polar	33892256
Valylarginine,2TMS,isomer #17	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2670.3	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #17	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2371.6	Standard non polar	33892256
Valylarginine,2TMS,isomer #2	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2758.8	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #2	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2395.9	Standard non polar	33892256
Valylarginine,2TMS,isomer #3	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2573.5	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #3	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2309.2	Standard non polar	33892256
Valylarginine,2TMS,isomer #4	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2640.2	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #4	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2375.8	Standard non polar	33892256
Valylarginine,2TMS,isomer #5	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2561.4	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #5	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2294.1	Standard non polar	33892256
Valylarginine,2TMS,isomer #6	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O	2817.0	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #6	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O	2396.3	Standard non polar	33892256
Valylarginine,2TMS,isomer #7	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2797.0	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #7	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2332.8	Standard non polar	33892256
Valylarginine,2TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	2654.4	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	2266.9	Standard non polar	33892256
Valylarginine,2TMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	2707.6	Semi standard non polar	33892256
Valylarginine,2TMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	2403.5	Standard non polar	33892256
Valylarginine,3TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2797.1	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2426.2	Standard non polar	33892256
Valylarginine,3TMS,isomer #10	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2620.8	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #10	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2436.5	Standard non polar	33892256
Valylarginine,3TMS,isomer #11	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2534.4	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #11	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2385.8	Standard non polar	33892256
Valylarginine,3TMS,isomer #12	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2629.9	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #12	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2308.5	Standard non polar	33892256
Valylarginine,3TMS,isomer #13	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2927.9	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #13	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2487.8	Standard non polar	33892256
Valylarginine,3TMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2788.2	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2420.8	Standard non polar	33892256
Valylarginine,3TMS,isomer #15	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2791.3	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #15	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2499.4	Standard non polar	33892256
Valylarginine,3TMS,isomer #16	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2722.9	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #16	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2325.2	Standard non polar	33892256
Valylarginine,3TMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2824.3	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2544.3	Standard non polar	33892256
Valylarginine,3TMS,isomer #18	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2735.1	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #18	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2388.4	Standard non polar	33892256
Valylarginine,3TMS,isomer #19	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2806.6	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #19	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2484.5	Standard non polar	33892256
Valylarginine,3TMS,isomer #2	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2761.2	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #2	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2397.9	Standard non polar	33892256
Valylarginine,3TMS,isomer #20	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2744.7	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #20	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2441.1	Standard non polar	33892256
Valylarginine,3TMS,isomer #21	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2647.0	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #21	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2406.2	Standard non polar	33892256
Valylarginine,3TMS,isomer #22	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2596.9	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #22	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2350.1	Standard non polar	33892256
Valylarginine,3TMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2678.5	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2358.1	Standard non polar	33892256
Valylarginine,3TMS,isomer #24	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2715.2	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #24	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2539.9	Standard non polar	33892256
Valylarginine,3TMS,isomer #25	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2689.5	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #25	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2364.0	Standard non polar	33892256
Valylarginine,3TMS,isomer #26	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2757.1	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #26	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2590.3	Standard non polar	33892256
Valylarginine,3TMS,isomer #27	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2735.0	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #27	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2347.9	Standard non polar	33892256
Valylarginine,3TMS,isomer #28	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2823.3	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #28	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2652.0	Standard non polar	33892256
Valylarginine,3TMS,isomer #29	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2752.8	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #29	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2421.7	Standard non polar	33892256
Valylarginine,3TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2587.1	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2307.1	Standard non polar	33892256
Valylarginine,3TMS,isomer #30	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2625.7	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #30	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2411.0	Standard non polar	33892256
Valylarginine,3TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2652.8	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2402.6	Standard non polar	33892256
Valylarginine,3TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2594.8	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2326.6	Standard non polar	33892256
Valylarginine,3TMS,isomer #6	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2728.7	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #6	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2462.9	Standard non polar	33892256
Valylarginine,3TMS,isomer #7	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2744.1	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #7	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2493.9	Standard non polar	33892256
Valylarginine,3TMS,isomer #8	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2688.7	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #8	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2263.4	Standard non polar	33892256
Valylarginine,3TMS,isomer #9	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2791.6	Semi standard non polar	33892256
Valylarginine,3TMS,isomer #9	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2554.4	Standard non polar	33892256
Valylarginine,4TMS,isomer #1	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2890.7	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #1	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2539.7	Standard non polar	33892256
Valylarginine,4TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2535.3	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2357.3	Standard non polar	33892256
Valylarginine,4TMS,isomer #11	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2649.3	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #11	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2369.6	Standard non polar	33892256
Valylarginine,4TMS,isomer #12	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2704.4	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #12	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2566.8	Standard non polar	33892256
Valylarginine,4TMS,isomer #13	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2663.7	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #13	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2358.9	Standard non polar	33892256
Valylarginine,4TMS,isomer #14	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2720.6	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #14	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2627.5	Standard non polar	33892256
Valylarginine,4TMS,isomer #15	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2697.0	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #15	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2327.5	Standard non polar	33892256
Valylarginine,4TMS,isomer #16	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2784.0	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #16	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2660.4	Standard non polar	33892256
Valylarginine,4TMS,isomer #17	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2698.0	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #17	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2367.1	Standard non polar	33892256
Valylarginine,4TMS,isomer #18	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2610.6	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #18	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2405.9	Standard non polar	33892256
Valylarginine,4TMS,isomer #19	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2862.7	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #19	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2542.7	Standard non polar	33892256
Valylarginine,4TMS,isomer #2	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2721.8	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #2	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2462.8	Standard non polar	33892256
Valylarginine,4TMS,isomer #20	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2881.8	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #20	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2599.0	Standard non polar	33892256
Valylarginine,4TMS,isomer #21	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2852.1	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #21	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2414.4	Standard non polar	33892256
Valylarginine,4TMS,isomer #22	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2931.5	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #22	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2650.2	Standard non polar	33892256
Valylarginine,4TMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2733.9	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2531.3	Standard non polar	33892256
Valylarginine,4TMS,isomer #24	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2716.9	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #24	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2355.6	Standard non polar	33892256
Valylarginine,4TMS,isomer #25	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2752.2	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #25	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2571.3	Standard non polar	33892256
Valylarginine,4TMS,isomer #26	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2747.8	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #26	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2391.4	Standard non polar	33892256
Valylarginine,4TMS,isomer #27	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2810.0	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #27	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2657.3	Standard non polar	33892256
Valylarginine,4TMS,isomer #28	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2760.3	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #28	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2416.8	Standard non polar	33892256
Valylarginine,4TMS,isomer #29	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2750.8	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #29	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2538.4	Standard non polar	33892256
Valylarginine,4TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2766.4	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2517.8	Standard non polar	33892256
Valylarginine,4TMS,isomer #30	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2697.5	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #30	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2476.2	Standard non polar	33892256
Valylarginine,4TMS,isomer #31	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2797.5	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #31	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2460.9	Standard non polar	33892256
Valylarginine,4TMS,isomer #32	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2625.7	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #32	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2399.5	Standard non polar	33892256
Valylarginine,4TMS,isomer #33	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2697.6	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #33	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2423.7	Standard non polar	33892256
Valylarginine,4TMS,isomer #34	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2744.1	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #34	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2722.2	Standard non polar	33892256
Valylarginine,4TMS,isomer #35	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2704.4	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #35	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2461.7	Standard non polar	33892256
Valylarginine,4TMS,isomer #36	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2763.6	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #36	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2540.4	Standard non polar	33892256
Valylarginine,4TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2705.6	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2343.2	Standard non polar	33892256
Valylarginine,4TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2793.7	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2565.5	Standard non polar	33892256
Valylarginine,4TMS,isomer #6	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2705.7	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #6	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2446.5	Standard non polar	33892256
Valylarginine,4TMS,isomer #7	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2773.7	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #7	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2523.0	Standard non polar	33892256
Valylarginine,4TMS,isomer #8	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2694.3	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #8	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2448.5	Standard non polar	33892256
Valylarginine,4TMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2620.4	Semi standard non polar	33892256
Valylarginine,4TMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2449.2	Standard non polar	33892256
Valylarginine,5TMS,isomer #1	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2844.4	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #1	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2596.8	Standard non polar	33892256
Valylarginine,5TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2721.8	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2437.8	Standard non polar	33892256
Valylarginine,5TMS,isomer #11	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2762.3	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #11	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2588.2	Standard non polar	33892256
Valylarginine,5TMS,isomer #12	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2685.4	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #12	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2496.0	Standard non polar	33892256
Valylarginine,5TMS,isomer #13	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2773.6	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #13	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2494.7	Standard non polar	33892256
Valylarginine,5TMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2578.0	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2433.4	Standard non polar	33892256
Valylarginine,5TMS,isomer #15	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2656.7	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #15	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2441.2	Standard non polar	33892256
Valylarginine,5TMS,isomer #16	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2745.5	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #16	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2736.5	Standard non polar	33892256
Valylarginine,5TMS,isomer #17	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2674.8	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #17	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2467.6	Standard non polar	33892256
Valylarginine,5TMS,isomer #18	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2703.8	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #18	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2527.1	Standard non polar	33892256
Valylarginine,5TMS,isomer #19	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2834.1	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #19	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2667.6	Standard non polar	33892256
Valylarginine,5TMS,isomer #2	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2860.0	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #2	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2649.2	Standard non polar	33892256
Valylarginine,5TMS,isomer #20	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2824.6	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #20	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2476.1	Standard non polar	33892256
Valylarginine,5TMS,isomer #21	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2870.1	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #21	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2704.2	Standard non polar	33892256
Valylarginine,5TMS,isomer #22	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2844.7	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #22	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2504.6	Standard non polar	33892256
Valylarginine,5TMS,isomer #23	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2931.0	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #23	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2764.4	Standard non polar	33892256
Valylarginine,5TMS,isomer #24	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2865.4	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #24	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2520.9	Standard non polar	33892256
Valylarginine,5TMS,isomer #25	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2685.7	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #25	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2447.8	Standard non polar	33892256
Valylarginine,5TMS,isomer #26	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2751.2	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #26	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2684.4	Standard non polar	33892256
Valylarginine,5TMS,isomer #27	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2684.1	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #27	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2460.0	Standard non polar	33892256
Valylarginine,5TMS,isomer #28	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2750.0	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #28	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2568.2	Standard non polar	33892256
Valylarginine,5TMS,isomer #29	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2777.8	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #29	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2535.1	Standard non polar	33892256
Valylarginine,5TMS,isomer #3	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2808.7	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #3	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2467.2	Standard non polar	33892256
Valylarginine,5TMS,isomer #30	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2752.4	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #30	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2621.6	Standard non polar	33892256
Valylarginine,5TMS,isomer #4	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2905.7	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #4	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2692.6	Standard non polar	33892256
Valylarginine,5TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2718.6	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2583.1	Standard non polar	33892256
Valylarginine,5TMS,isomer #6	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2653.3	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #6	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2399.5	Standard non polar	33892256
Valylarginine,5TMS,isomer #7	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2726.4	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #7	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2614.8	Standard non polar	33892256
Valylarginine,5TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2702.5	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2421.7	Standard non polar	33892256
Valylarginine,5TMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2786.6	Semi standard non polar	33892256
Valylarginine,5TMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2661.6	Standard non polar	33892256
Valylarginine,6TMS,isomer #1	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N[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	2862.9	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #1	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N[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	2723.1	Standard non polar	33892256
Valylarginine,6TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2721.1	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2606.7	Standard non polar	33892256
Valylarginine,6TMS,isomer #11	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(N)=N[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	2804.6	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #11	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(N)=N[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	2576.6	Standard non polar	33892256
Valylarginine,6TMS,isomer #12	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2721.2	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #12	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2642.0	Standard non polar	33892256
Valylarginine,6TMS,isomer #13	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2847.1	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #13	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2586.8	Standard non polar	33892256
Valylarginine,6TMS,isomer #14	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2935.3	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #14	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2827.2	Standard non polar	33892256
Valylarginine,6TMS,isomer #15	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2869.7	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #15	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2598.3	Standard non polar	33892256
Valylarginine,6TMS,isomer #16	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2917.2	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #16	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2698.9	Standard non polar	33892256
Valylarginine,6TMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2732.3	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2634.7	Standard non polar	33892256
Valylarginine,6TMS,isomer #2	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2806.2	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #2	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2535.3	Standard non polar	33892256
Valylarginine,6TMS,isomer #3	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N([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	2881.6	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #3	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N([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	2755.6	Standard non polar	33892256
Valylarginine,6TMS,isomer #4	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2824.2	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #4	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2559.2	Standard non polar	33892256
Valylarginine,6TMS,isomer #5	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2934.9	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #5	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2795.4	Standard non polar	33892256
Valylarginine,6TMS,isomer #6	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2841.8	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #6	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2569.5	Standard non polar	33892256
Valylarginine,6TMS,isomer #7	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2660.9	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #7	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2499.5	Standard non polar	33892256
Valylarginine,6TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2760.5	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2723.2	Standard non polar	33892256
Valylarginine,6TMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2678.9	Semi standard non polar	33892256
Valylarginine,6TMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2507.3	Standard non polar	33892256
Valylarginine,7TMS,isomer #1	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[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	2863.4	Semi standard non polar	33892256
Valylarginine,7TMS,isomer #1	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N[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	2647.1	Standard non polar	33892256
Valylarginine,7TMS,isomer #2	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[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	2970.0	Semi standard non polar	33892256
Valylarginine,7TMS,isomer #2	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C)[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	2869.9	Standard non polar	33892256
Valylarginine,7TMS,isomer #3	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([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	2880.6	Semi standard non polar	33892256
Valylarginine,7TMS,isomer #3	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N[Si](C)(C)C)N([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	2652.2	Standard non polar	33892256
Valylarginine,7TMS,isomer #4	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2914.3	Semi standard non polar	33892256
Valylarginine,7TMS,isomer #4	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2747.4	Standard non polar	33892256
Valylarginine,7TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2717.7	Semi standard non polar	33892256
Valylarginine,7TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2685.4	Standard non polar	33892256
Valylarginine,7TMS,isomer #6	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2947.0	Semi standard non polar	33892256
Valylarginine,7TMS,isomer #6	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2789.7	Standard non polar	33892256
Valylarginine,8TMS,isomer #1	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[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	2969.6	Semi standard non polar	33892256
Valylarginine,8TMS,isomer #1	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[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	2841.1	Standard non polar	33892256
Valylarginine,1TBDMS,isomer #1	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	2858.2	Semi standard non polar	33892256
Valylarginine,1TBDMS,isomer #2	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	2900.8	Semi standard non polar	33892256
Valylarginine,1TBDMS,isomer #3	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O	3054.4	Semi standard non polar	33892256
Valylarginine,1TBDMS,isomer #4	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	2842.4	Semi standard non polar	33892256
Valylarginine,1TBDMS,isomer #5	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	2958.3	Semi standard non polar	33892256
Valylarginine,1TBDMS,isomer #6	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O	2892.4	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	3063.3	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	2676.4	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O	3083.9	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O	2669.4	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #11	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3198.8	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #11	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2768.9	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #12	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3253.4	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #12	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2845.2	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #13	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3188.9	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #13	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2622.0	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #14	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3244.9	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #14	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2853.0	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #15	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3100.1	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #15	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2779.8	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #16	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3018.3	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #16	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2712.8	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #17	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3150.9	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #17	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2707.4	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #2	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3241.1	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #2	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2754.0	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #3	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3002.1	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #3	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2715.3	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #4	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3117.9	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #4	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2759.3	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #5	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3037.4	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #5	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2661.6	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #6	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O	3282.3	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #6	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O	2744.3	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #7	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3219.8	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #7	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2699.9	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	3072.1	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	2643.1	Standard non polar	33892256
Valylarginine,2TBDMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	3150.7	Semi standard non polar	33892256
Valylarginine,2TBDMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	2768.4	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3445.4	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2908.2	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #10	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3260.7	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #10	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2985.8	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #11	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3154.1	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #11	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2885.1	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #12	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(N)=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	3293.2	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #12	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(N)=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	2815.7	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #13	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N[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	3579.0	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #13	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N[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	2952.2	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3396.3	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2892.4	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #15	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3451.7	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #15	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2989.9	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #16	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3385.1	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #16	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2746.8	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3439.0	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3028.9	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #18	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)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	3349.6	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #18	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)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	2896.2	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #19	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[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	3467.7	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #19	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[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	2984.8	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #2	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)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	3382.0	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #2	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)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	2908.1	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #20	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)=N[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	3406.4	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #20	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)=N[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	2894.6	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #21	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3291.0	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #21	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2924.9	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #22	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3200.4	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #22	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2814.9	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3336.6	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2832.3	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #24	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)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	3384.7	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #24	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)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	3043.9	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #25	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[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	3323.1	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #25	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[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	2811.6	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #26	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)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	3366.3	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #26	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)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	3076.7	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #27	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[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	3370.3	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #27	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[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	2805.3	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #28	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3444.8	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #28	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3156.3	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #29	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[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	3393.9	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #29	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[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	2875.9	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3220.9	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2849.8	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #30	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(N)=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	3302.4	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #30	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(N)=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	2888.0	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3292.9	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2934.3	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3218.6	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2807.3	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #6	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3362.2	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #6	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2973.7	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #7	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)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	3410.8	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #7	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)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	3010.3	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #8	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[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	3345.8	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #8	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[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	2745.7	Standard non polar	33892256
Valylarginine,3TBDMS,isomer #9	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)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	3402.7	Semi standard non polar	33892256
Valylarginine,3TBDMS,isomer #9	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)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	3049.0	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #1	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)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	3745.0	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #1	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)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	3146.2	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3340.4	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2995.8	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #11	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(N)=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	3477.0	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #11	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(N)=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	2998.2	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #12	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3532.5	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #12	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3225.4	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #13	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[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)[Si](C)(C)C(C)(C)C	3440.2	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #13	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[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)[Si](C)(C)C(C)(C)C	2970.7	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #14	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3504.9	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #14	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3258.7	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #15	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[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	3504.3	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #15	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[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	2940.0	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #16	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3609.6	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #16	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3299.6	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #17	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[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	3511.9	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #17	CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N[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	3004.4	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #18	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3452.9	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #18	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3049.6	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #19	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)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	3679.0	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #19	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)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	3152.7	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #2	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3544.8	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #2	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3100.3	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #20	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[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	3766.5	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #20	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N[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	3210.2	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #21	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[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	3711.2	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #21	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[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	2993.3	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #22	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N([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	3770.4	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #22	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N([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	3241.3	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(=N)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	3575.9	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(=N)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	3165.7	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #24	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N[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	3497.6	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #24	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N[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	2933.3	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #25	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)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	3574.4	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #25	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)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	3191.6	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #26	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N[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	3547.7	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #26	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N[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	2961.6	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #27	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3651.0	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #27	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3271.3	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #28	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N[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	3574.5	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #28	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N[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	3007.5	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #29	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)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	3601.5	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #29	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)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	3190.2	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)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	3603.3	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)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	3154.4	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #30	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)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	3536.0	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #30	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)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	3093.7	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #31	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(N)=N[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	3685.5	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #31	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(N)=N[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	3077.7	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #32	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(N)=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	3484.8	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #32	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(N)=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	3019.1	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #33	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[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	3519.6	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #33	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[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	3009.8	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #34	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3587.4	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #34	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3344.6	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #35	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[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	3530.9	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #35	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[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	3062.2	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #36	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3627.8	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #36	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3168.3	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N[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	3541.2	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N[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	2922.4	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)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	3596.0	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N)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	3192.5	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #6	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N)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	3511.6	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #6	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N)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	3125.1	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #7	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)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	3655.9	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #7	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)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	3170.7	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #8	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)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	3558.1	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #8	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)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	3057.3	Standard non polar	33892256
Valylarginine,4TBDMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3448.0	Semi standard non polar	33892256
Valylarginine,4TBDMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3126.3	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #1	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3843.7	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #1	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3369.6	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N[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	3686.0	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCNC(=N[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	3196.3	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #11	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3791.0	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #11	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3401.8	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #12	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3709.5	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #12	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3285.8	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #13	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(N)=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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3861.2	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #13	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(N)=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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3252.9	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3610.7	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3209.6	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #15	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[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)[Si](C)(C)C(C)(C)C	3634.6	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #15	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[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)[Si](C)(C)C(C)(C)C	3190.2	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #16	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3747.4	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #16	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3508.4	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #17	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[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)[Si](C)(C)C(C)(C)C	3651.9	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #17	CC(C)[C@H](N)C(=O)N([C@@H](CCCNC(=N[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)[Si](C)(C)C(C)(C)C	3238.7	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #18	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3759.8	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #18	CC(C)[C@H](N)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3309.1	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #19	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3880.2	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #19	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(=N)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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3432.3	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #2	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3930.0	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #2	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3407.9	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #20	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3817.0	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #20	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3222.1	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #21	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3873.7	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #21	CC(C)[C@@H](C(=O)N([C@@H](CCCNC(=N)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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3452.1	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #22	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3917.4	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #22	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3224.3	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #23	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3979.5	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #23	CC(C)[C@@H](C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3500.3	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #24	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3925.7	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #24	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3264.9	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #25	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(=N[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	3696.0	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #25	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(=N[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	3172.0	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #26	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3797.7	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #26	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3457.2	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #27	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N[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	3719.6	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #27	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N[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	3214.0	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #28	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3812.5	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #28	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3324.1	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #29	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(N)=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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3825.2	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #29	CC(C)[C@@H](C(=O)N([C@@H](CCCN(C(N)=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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3300.7	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #3	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3842.6	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #3	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3191.1	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #30	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3774.2	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #30	CC(C)[C@H](N)C(=O)N([C@@H](CCCN(C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3367.2	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #4	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3914.8	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #4	CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3434.8	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3699.3	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3366.7	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #6	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N[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)[Si](C)(C)C(C)(C)C	3605.8	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #6	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N[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)[Si](C)(C)C(C)(C)C	3141.9	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #7	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3690.5	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #7	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3394.0	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N[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	3662.3	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N[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	3152.4	Standard non polar	33892256
Valylarginine,5TBDMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3813.4	Semi standard non polar	33892256
Valylarginine,5TBDMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3443.1	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Valylarginine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Valylarginine 10V, Negative-QTOF	splash10-00di-0090000000-387d95780d3856e92a6b	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Valylarginine 20V, Negative-QTOF	splash10-0ac0-1970000000-635dd08e91e2dd7dc685	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Valylarginine 40V, Negative-QTOF	splash10-0006-9200000000-b17cc1e2a1a6de3fb410	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Valylarginine 10V, Positive-QTOF	splash10-00di-0190000000-deb05e0dad3bac4a69d4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Valylarginine 20V, Positive-QTOF	splash10-00di-9110000000-3412cd796486c0af55c5	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Valylarginine 40V, Positive-QTOF	splash10-0ab9-9400000000-47d91d4989b208457582	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details

Associated Disorders and Diseases

Disease References

Colorectal cancer
Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112123

KNApSAcK ID

C00018321

Chemspider ID

392436

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

444523

PDB ID

Not Available

ChEBI ID

73711

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

Not Available

Showing metabocard for Valylarginine (HMDB0029121)

MOL for HMDB0029121 (Valylarginine)

3D MOL for HMDB0029121 (Valylarginine)

3D SDF for HMDB0029121 (Valylarginine)

3D-SDF for HMDB0029121 (Valylarginine)

PDB for HMDB0029121 (Valylarginine)

3D PDB for HMDB0029121 (Valylarginine)

SMILES for HMDB0029121 (Valylarginine)

INCHI for HMDB0029121 (Valylarginine)

Structure for HMDB0029121 (Valylarginine)

3D Structure for HMDB0029121 (Valylarginine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra