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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-06 21:02:14 UTC

Update Date

2021-09-14 15:45:45 UTC

HMDB ID

HMDB0028722

Secondary Accession Numbers

HMDB28722

Metabolite Identification

Common Name

Arginylvaline

Description

Arginylvaline, also known as RV or L-arg-L-val, 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. Arginylvaline has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make arginylvaline a potential biomarker for the consumption of these foods. Arginylvaline is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on Arginylvaline.

Structure

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

HMDB0028722
     RDKit          3D
Arginylvaline
 42 41  0  0  0  0  0  0  0  0999 V2000
   -3.2810   -1.3601    1.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0421   -0.2044    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1888    0.8775    1.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3697    0.3241   -0.8105 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0412    0.7913   -0.5313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8777    0.2636   -1.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501   -0.6875   -1.9650 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980    0.7422   -0.8480 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4315    1.8262    0.1079 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2856   -0.4334   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080   -0.1180   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188   -1.4350    0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6900   -1.3016    0.8398 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6665   -1.0493   -0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1723   -1.9916   -0.8582 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803    0.2795   -0.3701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1597    1.4082   -1.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6494    2.5428   -1.5784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4714    1.2204   -1.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8729   -1.8359    1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3270   -1.0174    1.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0171   -2.1269    0.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0457   -0.6133    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7547    1.8374    1.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7220    0.5679    2.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2696    1.0289    1.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3318   -0.4980   -1.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9409    1.5705    0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9192    1.1546   -1.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710    2.7398   -0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9264    1.6370    0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365   -1.2297   -1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7893   -0.7670    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865    0.6644    0.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650    0.1786   -0.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1670   -2.1624   -0.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7028   -1.7261    1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751   -1.3914    1.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8837   -2.9859   -0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4021    1.0421   -0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0807    0.4358   -0.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2434    1.8022   -1.4511 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
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 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
  4 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
  8 29  1  6
  9 30  1  0
  9 31  1  0
 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


  Mrv1652304062013242D          

 19 18  0  0  0  0            999 V2000
 2502.5000 2500.0010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2501.7860 2499.5877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2501.0720 2500.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.3580 2499.5877    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2499.6419 2500.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.9279 2499.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2139 2500.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.4999 2499.5877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7859 2500.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.7859 2500.8255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2496.0719 2499.5877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.3580 2498.7633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2501.0720 2500.8255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2503.2140 2499.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.9280 2500.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.2140 2498.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.5000 2500.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.2140 2501.2366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.7860 2501.2366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 17  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028722

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C11H23N5O3/c1-6(2)8(10(18)19)16-9(17)7(12)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>
DAQIJMOLTMGJLO-YUMQZZPRSA-N

> <FORMULA>
C11H23N5O3

> <MOLECULAR_WEIGHT>
273.337

> <EXACT_MASS>
273.180089621

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
29.353321837238667

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanoic acid

> <ALOGPS_LOGP>
-3.36

> <JCHEM_LOGP>
-2.7921673681087156

> <ALOGPS_LOGS>
-2.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.745661920466368

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.776148494225005

> <JCHEM_PKA_STRONGEST_BASIC>
12.008275891425285

> <JCHEM_POLAR_SURFACE_AREA>
154.31999999999996

> <JCHEM_REFRACTIVITY>
80.21609999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.23e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028722
     RDKit          3D
Arginylvaline
 42 41  0  0  0  0  0  0  0  0999 V2000
   -3.2810   -1.3601    1.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0421   -0.2044    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1888    0.8775    1.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3697    0.3241   -0.8105 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0412    0.7913   -0.5313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8777    0.2636   -1.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501   -0.6875   -1.9650 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980    0.7422   -0.8480 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4315    1.8262    0.1079 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2856   -0.4334   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080   -0.1180   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188   -1.4350    0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6900   -1.3016    0.8398 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6665   -1.0493   -0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1723   -1.9916   -0.8582 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803    0.2795   -0.3701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1597    1.4082   -1.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6494    2.5428   -1.5784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4714    1.2204   -1.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8729   -1.8359    1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3270   -1.0174    1.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0171   -2.1269    0.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0457   -0.6133    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7547    1.8374    1.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7220    0.5679    2.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2696    1.0289    1.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3318   -0.4980   -1.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9409    1.5705    0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9192    1.1546   -1.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710    2.7398   -0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9264    1.6370    0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365   -1.2297   -1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7893   -0.7670    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865    0.6644    0.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650    0.1786   -0.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1670   -2.1624   -0.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7028   -1.7261    1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751   -1.3914    1.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8837   -2.9859   -0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4021    1.0421   -0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0807    0.4358   -0.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2434    1.8022   -1.4511 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
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 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
  4 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
  8 29  1  6
  9 30  1  0
  9 31  1  0
 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    4671.3334666.669   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4670.0014665.897   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4668.6684666.669   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    4667.3354665.897   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    4665.9984666.669   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4664.6654665.897   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    4663.3334666.669   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0    4662.0004665.897   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0    4660.6674666.669   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0    4660.6674668.208   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0    4659.3344665.897   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0    4667.3354664.358   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0    4668.6684668.208   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    4672.6664665.897   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    4673.9994666.669   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    4672.6664664.358   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    4671.3334668.208   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0    4672.6664668.975   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    4670.0014668.975   0.000  0.00  0.00           O+0
CONECT    1    2   14   17                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   13                                                  
CONECT    4    3    5   12                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    4                                                            
CONECT   13    3                                                            
CONECT   14    1   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    1   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

COMPND    HMDB0028722
HETATM    1  C1  UNL     1      -3.281  -1.360   1.029  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.042  -0.204   0.428  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.189   0.878   1.463  1.00  0.00           C  
HETATM    4  C4  UNL     1      -3.370   0.324  -0.810  1.00  0.00           C  
HETATM    5  N1  UNL     1      -2.041   0.791  -0.531  1.00  0.00           N  
HETATM    6  C5  UNL     1      -0.878   0.264  -1.130  1.00  0.00           C  
HETATM    7  O1  UNL     1      -1.050  -0.687  -1.965  1.00  0.00           O  
HETATM    8  C6  UNL     1       0.498   0.742  -0.848  1.00  0.00           C  
HETATM    9  N2  UNL     1       0.431   1.826   0.108  1.00  0.00           N  
HETATM   10  C7  UNL     1       1.286  -0.433  -0.341  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.708  -0.118  -0.009  1.00  0.00           C  
HETATM   12  C9  UNL     1       3.319  -1.435   0.481  1.00  0.00           C  
HETATM   13  N3  UNL     1       4.690  -1.302   0.840  1.00  0.00           N  
HETATM   14  C10 UNL     1       5.666  -1.049  -0.157  1.00  0.00           C  
HETATM   15  N4  UNL     1       6.172  -1.992  -0.858  1.00  0.00           N  
HETATM   16  N5  UNL     1       6.080   0.279  -0.370  1.00  0.00           N  
HETATM   17  C11 UNL     1      -4.160   1.408  -1.393  1.00  0.00           C  
HETATM   18  O2  UNL     1      -3.649   2.543  -1.578  1.00  0.00           O  
HETATM   19  O3  UNL     1      -5.471   1.220  -1.752  1.00  0.00           O  
HETATM   20  H1  UNL     1      -3.873  -1.836   1.824  1.00  0.00           H  
HETATM   21  H2  UNL     1      -2.327  -1.017   1.479  1.00  0.00           H  
HETATM   22  H3  UNL     1      -3.017  -2.127   0.271  1.00  0.00           H  
HETATM   23  H4  UNL     1      -5.046  -0.613   0.127  1.00  0.00           H  
HETATM   24  H5  UNL     1      -3.755   1.837   1.152  1.00  0.00           H  
HETATM   25  H6  UNL     1      -3.722   0.568   2.424  1.00  0.00           H  
HETATM   26  H7  UNL     1      -5.270   1.029   1.683  1.00  0.00           H  
HETATM   27  H8  UNL     1      -3.332  -0.498  -1.558  1.00  0.00           H  
HETATM   28  H9  UNL     1      -1.941   1.570   0.159  1.00  0.00           H  
HETATM   29  H10 UNL     1       0.919   1.155  -1.785  1.00  0.00           H  
HETATM   30  H11 UNL     1       0.671   2.740  -0.323  1.00  0.00           H  
HETATM   31  H12 UNL     1       0.926   1.637   0.995  1.00  0.00           H  
HETATM   32  H13 UNL     1       1.236  -1.230  -1.095  1.00  0.00           H  
HETATM   33  H14 UNL     1       0.789  -0.767   0.609  1.00  0.00           H  
HETATM   34  H15 UNL     1       2.786   0.664   0.758  1.00  0.00           H  
HETATM   35  H16 UNL     1       3.265   0.179  -0.945  1.00  0.00           H  
HETATM   36  H17 UNL     1       3.167  -2.162  -0.341  1.00  0.00           H  
HETATM   37  H18 UNL     1       2.703  -1.726   1.379  1.00  0.00           H  
HETATM   38  H19 UNL     1       4.975  -1.391   1.851  1.00  0.00           H  
HETATM   39  H20 UNL     1       5.884  -2.986  -0.722  1.00  0.00           H  
HETATM   40  H21 UNL     1       5.402   1.042  -0.253  1.00  0.00           H  
HETATM   41  H22 UNL     1       7.081   0.436  -0.644  1.00  0.00           H  
HETATM   42  H23 UNL     1      -6.243   1.802  -1.451  1.00  0.00           H  
CONECT    1    2   20   21   22
CONECT    2    3    4   23
CONECT    3   24   25   26
CONECT    4    5   17   27
CONECT    5    6   28
CONECT    6    7    7    8
CONECT    8    9   10   29
CONECT    9   30   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

HMDB0028722
     RDKit          3D
Arginylvaline
 42 41  0  0  0  0  0  0  0  0999 V2000
   -3.2810   -1.3601    1.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0421   -0.2044    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1888    0.8775    1.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3697    0.3241   -0.8105 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0412    0.7913   -0.5313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8777    0.2636   -1.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501   -0.6875   -1.9650 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980    0.7422   -0.8480 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4315    1.8262    0.1079 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2856   -0.4334   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080   -0.1180   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188   -1.4350    0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6900   -1.3016    0.8398 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6665   -1.0493   -0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1723   -1.9916   -0.8582 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803    0.2795   -0.3701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1597    1.4082   -1.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6494    2.5428   -1.5784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4714    1.2204   -1.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8729   -1.8359    1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3270   -1.0174    1.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0171   -2.1269    0.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0457   -0.6133    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7547    1.8374    1.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7220    0.5679    2.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2696    1.0289    1.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3318   -0.4980   -1.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9409    1.5705    0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9192    1.1546   -1.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710    2.7398   -0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9264    1.6370    0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365   -1.2297   -1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7893   -0.7670    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865    0.6644    0.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650    0.1786   -0.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1670   -2.1624   -0.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7028   -1.7261    1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751   -1.3914    1.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8837   -2.9859   -0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4021    1.0421   -0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0807    0.4358   -0.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2434    1.8022   -1.4511 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
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 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
  4 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
  8 29  1  6
  9 30  1  0
  9 31  1  0
 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
Arginyl-valine	ChEBI
L-Arg-L-val	ChEBI
RV	ChEBI
Arg-val	HMDB
Arginine valine dipeptide	HMDB
Arginine-valine dipeptide	HMDB
L-Arginyl-L-valine	HMDB
N-Arginylvaline	HMDB
N-L-Arginyl-L-valine	HMDB
R-V Dipeptide	HMDB
RV Dipeptide	HMDB
Arginylvaline	ChEBI

Chemical Formula

C₁₁H₂₃N₅O₃

Average Molecular Weight

273.337

Monoisotopic Molecular Weight

273.180089621

IUPAC Name

(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanoic acid

CAS Registry Number

2896-20-0

SMILES

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

InChI Identifier

InChI=1S/C11H23N5O3/c1-6(2)8(10(18)19)16-9(17)7(12)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

DAQIJMOLTMGJLO-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
Methyl-branched fatty acid
Fatty acyl
Fatty acid
Fatty amide
N-acyl-amine
Guanidine
Amino acid or derivatives
Secondary carboxylic acid amide
Amino acid
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:73823 )

Ontology

Not Available

Feces (PMID: 27275383)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
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)

Equine

Horse (FooDB: FOOD00378)

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)

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	-2.8	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.52 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-2.8	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	3.78	ChemAxon
pKa (Strongest Basic)	12.01	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	29.35 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]+	168.671	30932474
DeepCCS	[M-H]-	166.313	30932474
DeepCCS	[M-2H]-	199.199	30932474
DeepCCS	[M+Na]+	174.764	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Arginylvaline	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O	3575.3	Standard polar	33892256
Arginylvaline	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O	2351.3	Standard non polar	33892256
Arginylvaline	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O	2809.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Arginylvaline,1TMS,isomer #1	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O[Si](C)(C)C	2624.6	Semi standard non polar	33892256
Arginylvaline,1TMS,isomer #2	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C)C(=O)O	2697.6	Semi standard non polar	33892256
Arginylvaline,1TMS,isomer #3	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C)C(=O)O	2804.6	Semi standard non polar	33892256
Arginylvaline,1TMS,isomer #4	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N)N)[Si](C)(C)C	2608.0	Semi standard non polar	33892256
Arginylvaline,1TMS,isomer #5	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	2721.0	Semi standard non polar	33892256
Arginylvaline,1TMS,isomer #6	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C)C(=O)O	2620.8	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #1	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2656.7	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #1	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2266.1	Standard non polar	33892256
Arginylvaline,2TMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2812.5	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2340.1	Standard non polar	33892256
Arginylvaline,2TMS,isomer #11	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C)[Si](C)(C)C	2737.5	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #11	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C)[Si](C)(C)C	2321.9	Standard non polar	33892256
Arginylvaline,2TMS,isomer #12	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2774.8	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #12	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2422.9	Standard non polar	33892256
Arginylvaline,2TMS,isomer #13	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2710.6	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #13	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2256.2	Standard non polar	33892256
Arginylvaline,2TMS,isomer #14	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2829.5	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #14	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2438.4	Standard non polar	33892256
Arginylvaline,2TMS,isomer #15	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C)[Si](C)(C)C	2615.9	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #15	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C)[Si](C)(C)C	2288.0	Standard non polar	33892256
Arginylvaline,2TMS,isomer #16	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C)[Si](C)(C)C	2558.8	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #16	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C)[Si](C)(C)C	2302.8	Standard non polar	33892256
Arginylvaline,2TMS,isomer #17	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2673.1	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #17	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2307.2	Standard non polar	33892256
Arginylvaline,2TMS,isomer #2	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2768.5	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #2	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2325.1	Standard non polar	33892256
Arginylvaline,2TMS,isomer #3	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N)[Si](C)(C)C	2573.3	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #3	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N)[Si](C)(C)C	2202.7	Standard non polar	33892256
Arginylvaline,2TMS,isomer #4	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2661.5	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #4	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2307.5	Standard non polar	33892256
Arginylvaline,2TMS,isomer #5	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2578.3	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #5	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2241.7	Standard non polar	33892256
Arginylvaline,2TMS,isomer #6	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2840.8	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #6	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2375.3	Standard non polar	33892256
Arginylvaline,2TMS,isomer #7	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C)[Si](C)(C)C	2649.8	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #7	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C)[Si](C)(C)C	2251.9	Standard non polar	33892256
Arginylvaline,2TMS,isomer #8	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2726.5	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #8	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2371.7	Standard non polar	33892256
Arginylvaline,2TMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2641.5	Semi standard non polar	33892256
Arginylvaline,2TMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2323.5	Standard non polar	33892256
Arginylvaline,3TMS,isomer #1	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2820.8	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #1	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2417.2	Standard non polar	33892256
Arginylvaline,3TMS,isomer #10	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C)[Si](C)(C)C	2601.8	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #10	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C)[Si](C)(C)C	2343.0	Standard non polar	33892256
Arginylvaline,3TMS,isomer #11	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C)[Si](C)(C)C	2527.1	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #11	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C)[Si](C)(C)C	2311.4	Standard non polar	33892256
Arginylvaline,3TMS,isomer #12	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2646.9	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #12	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2263.7	Standard non polar	33892256
Arginylvaline,3TMS,isomer #13	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2776.2	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #13	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2417.0	Standard non polar	33892256
Arginylvaline,3TMS,isomer #14	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2814.6	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #14	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2481.8	Standard non polar	33892256
Arginylvaline,3TMS,isomer #15	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2746.1	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #15	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2313.9	Standard non polar	33892256
Arginylvaline,3TMS,isomer #16	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2852.4	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #16	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2525.9	Standard non polar	33892256
Arginylvaline,3TMS,isomer #17	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2946.7	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #17	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2494.9	Standard non polar	33892256
Arginylvaline,3TMS,isomer #18	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2637.5	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #18	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2388.7	Standard non polar	33892256
Arginylvaline,3TMS,isomer #19	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2593.0	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #19	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2350.0	Standard non polar	33892256
Arginylvaline,3TMS,isomer #2	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C)[Si](C)(C)C	2589.9	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #2	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C)[Si](C)(C)C	2306.8	Standard non polar	33892256
Arginylvaline,3TMS,isomer #20	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2718.1	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #20	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2377.5	Standard non polar	33892256
Arginylvaline,3TMS,isomer #21	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2701.0	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #21	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2349.4	Standard non polar	33892256
Arginylvaline,3TMS,isomer #22	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2829.1	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #22	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2487.5	Standard non polar	33892256
Arginylvaline,3TMS,isomer #23	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2758.5	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #23	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2431.0	Standard non polar	33892256
Arginylvaline,3TMS,isomer #24	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2682.5	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #24	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2437.1	Standard non polar	33892256
Arginylvaline,3TMS,isomer #25	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2664.6	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #25	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2302.4	Standard non polar	33892256
Arginylvaline,3TMS,isomer #26	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2714.6	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #26	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2490.7	Standard non polar	33892256
Arginylvaline,3TMS,isomer #27	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2723.8	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #27	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2301.6	Standard non polar	33892256
Arginylvaline,3TMS,isomer #28	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2809.5	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #28	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2576.8	Standard non polar	33892256
Arginylvaline,3TMS,isomer #29	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2745.6	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #29	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2349.1	Standard non polar	33892256
Arginylvaline,3TMS,isomer #3	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2675.7	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #3	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2392.1	Standard non polar	33892256
Arginylvaline,3TMS,isomer #30	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2593.2	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #30	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2340.8	Standard non polar	33892256
Arginylvaline,3TMS,isomer #4	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2612.3	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #4	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2319.9	Standard non polar	33892256
Arginylvaline,3TMS,isomer #5	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2776.7	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #5	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2395.3	Standard non polar	33892256
Arginylvaline,3TMS,isomer #6	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C)[Si](C)(C)C	2705.8	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #6	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C)[Si](C)(C)C	2374.9	Standard non polar	33892256
Arginylvaline,3TMS,isomer #7	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2755.6	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #7	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2426.4	Standard non polar	33892256
Arginylvaline,3TMS,isomer #8	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2691.1	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #8	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2229.1	Standard non polar	33892256
Arginylvaline,3TMS,isomer #9	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2798.3	Semi standard non polar	33892256
Arginylvaline,3TMS,isomer #9	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2485.5	Standard non polar	33892256
Arginylvaline,4TMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2719.4	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2471.0	Standard non polar	33892256
Arginylvaline,4TMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2772.5	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2521.9	Standard non polar	33892256
Arginylvaline,4TMS,isomer #11	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2676.3	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #11	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2435.8	Standard non polar	33892256
Arginylvaline,4TMS,isomer #12	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2667.5	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #12	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2488.0	Standard non polar	33892256
Arginylvaline,4TMS,isomer #13	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2632.3	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #13	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2322.3	Standard non polar	33892256
Arginylvaline,4TMS,isomer #14	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2695.5	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #14	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2538.3	Standard non polar	33892256
Arginylvaline,4TMS,isomer #15	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2700.4	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #15	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2303.9	Standard non polar	33892256
Arginylvaline,4TMS,isomer #16	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2777.5	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #16	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2588.4	Standard non polar	33892256
Arginylvaline,4TMS,isomer #17	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2708.1	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #17	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2328.2	Standard non polar	33892256
Arginylvaline,4TMS,isomer #18	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2591.0	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #18	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2357.5	Standard non polar	33892256
Arginylvaline,4TMS,isomer #19	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2711.9	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #19	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2522.6	Standard non polar	33892256
Arginylvaline,4TMS,isomer #2	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2786.1	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #2	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2512.9	Standard non polar	33892256
Arginylvaline,4TMS,isomer #20	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2705.7	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #20	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2364.9	Standard non polar	33892256
Arginylvaline,4TMS,isomer #21	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2736.5	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #21	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2569.0	Standard non polar	33892256
Arginylvaline,4TMS,isomer #22	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2841.6	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #22	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2530.4	Standard non polar	33892256
Arginylvaline,4TMS,isomer #23	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2752.9	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #23	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2384.1	Standard non polar	33892256
Arginylvaline,4TMS,isomer #24	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2824.2	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #24	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2641.6	Standard non polar	33892256
Arginylvaline,4TMS,isomer #25	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2915.4	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #25	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2601.5	Standard non polar	33892256
Arginylvaline,4TMS,isomer #26	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2768.7	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #26	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2410.8	Standard non polar	33892256
Arginylvaline,4TMS,isomer #27	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2859.9	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #27	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2404.2	Standard non polar	33892256
Arginylvaline,4TMS,isomer #28	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2958.4	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #28	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2647.0	Standard non polar	33892256
Arginylvaline,4TMS,isomer #29	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2620.7	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #29	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2401.3	Standard non polar	33892256
Arginylvaline,4TMS,isomer #3	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2723.4	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #3	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2332.4	Standard non polar	33892256
Arginylvaline,4TMS,isomer #30	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2740.2	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #30	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2526.6	Standard non polar	33892256
Arginylvaline,4TMS,isomer #31	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2674.6	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #31	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2456.4	Standard non polar	33892256
Arginylvaline,4TMS,isomer #32	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2806.9	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #32	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2458.4	Standard non polar	33892256
Arginylvaline,4TMS,isomer #33	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2652.4	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #33	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2369.6	Standard non polar	33892256
Arginylvaline,4TMS,isomer #34	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2707.4	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #34	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2615.1	Standard non polar	33892256
Arginylvaline,4TMS,isomer #35	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2672.6	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #35	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2403.3	Standard non polar	33892256
Arginylvaline,4TMS,isomer #36	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2750.5	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #36	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2488.5	Standard non polar	33892256
Arginylvaline,4TMS,isomer #4	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2800.6	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #4	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2559.4	Standard non polar	33892256
Arginylvaline,4TMS,isomer #5	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2896.4	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #5	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2533.6	Standard non polar	33892256
Arginylvaline,4TMS,isomer #6	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2612.6	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #6	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2445.5	Standard non polar	33892256
Arginylvaline,4TMS,isomer #7	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2531.9	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #7	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2376.9	Standard non polar	33892256
Arginylvaline,4TMS,isomer #8	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2692.2	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #8	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2435.7	Standard non polar	33892256
Arginylvaline,4TMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2662.6	Semi standard non polar	33892256
Arginylvaline,4TMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2357.0	Standard non polar	33892256
Arginylvaline,5TMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2715.2	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2586.1	Standard non polar	33892256
Arginylvaline,5TMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2905.0	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2681.7	Standard non polar	33892256
Arginylvaline,5TMS,isomer #11	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2593.7	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #11	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2439.2	Standard non polar	33892256
Arginylvaline,5TMS,isomer #12	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2752.0	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #12	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2580.7	Standard non polar	33892256
Arginylvaline,5TMS,isomer #13	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2676.6	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #13	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(N)=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2488.2	Standard non polar	33892256
Arginylvaline,5TMS,isomer #14	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2762.6	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #14	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2491.9	Standard non polar	33892256
Arginylvaline,5TMS,isomer #15	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2628.0	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #15	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2403.7	Standard non polar	33892256
Arginylvaline,5TMS,isomer #16	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2710.3	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #16	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2650.7	Standard non polar	33892256
Arginylvaline,5TMS,isomer #17	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2659.1	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #17	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2425.0	Standard non polar	33892256
Arginylvaline,5TMS,isomer #18	CC(C)[C@H](NC(=O)[C@@H](N)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	2701.7	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #18	CC(C)[C@H](NC(=O)[C@@H](N)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	2507.5	Standard non polar	33892256
Arginylvaline,5TMS,isomer #19	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2681.5	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #19	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2452.9	Standard non polar	33892256
Arginylvaline,5TMS,isomer #2	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2665.6	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #2	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2410.6	Standard non polar	33892256
Arginylvaline,5TMS,isomer #20	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2740.5	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #20	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2684.8	Standard non polar	33892256
Arginylvaline,5TMS,isomer #21	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2819.3	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #21	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2656.0	Standard non polar	33892256
Arginylvaline,5TMS,isomer #22	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2692.1	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #22	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2472.5	Standard non polar	33892256
Arginylvaline,5TMS,isomer #23	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2794.3	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #23	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2468.6	Standard non polar	33892256
Arginylvaline,5TMS,isomer #24	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2851.8	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #24	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2690.3	Standard non polar	33892256
Arginylvaline,5TMS,isomer #25	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2757.7	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #25	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2571.6	Standard non polar	33892256
Arginylvaline,5TMS,isomer #26	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2855.5	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #26	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2504.3	Standard non polar	33892256
Arginylvaline,5TMS,isomer #27	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2956.5	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #27	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2759.5	Standard non polar	33892256
Arginylvaline,5TMS,isomer #28	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2860.1	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #28	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2508.4	Standard non polar	33892256
Arginylvaline,5TMS,isomer #29	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2765.8	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #29	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2530.6	Standard non polar	33892256
Arginylvaline,5TMS,isomer #3	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2728.7	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #3	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2626.2	Standard non polar	33892256
Arginylvaline,5TMS,isomer #30	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2711.8	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #30	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2565.1	Standard non polar	33892256
Arginylvaline,5TMS,isomer #4	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2837.2	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #4	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2585.9	Standard non polar	33892256
Arginylvaline,5TMS,isomer #5	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2702.9	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #5	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2412.8	Standard non polar	33892256
Arginylvaline,5TMS,isomer #6	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2786.1	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #6	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2659.3	Standard non polar	33892256
Arginylvaline,5TMS,isomer #7	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2865.3	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #7	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2647.2	Standard non polar	33892256
Arginylvaline,5TMS,isomer #8	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2717.2	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #8	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2426.6	Standard non polar	33892256
Arginylvaline,5TMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2793.8	Semi standard non polar	33892256
Arginylvaline,5TMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2458.4	Standard non polar	33892256
Arginylvaline,6TMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2667.2	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2509.1	Standard non polar	33892256
Arginylvaline,6TMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2824.3	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2556.9	Standard non polar	33892256
Arginylvaline,6TMS,isomer #11	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2795.0	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #11	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2572.2	Standard non polar	33892256
Arginylvaline,6TMS,isomer #12	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2694.1	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #12	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2601.8	Standard non polar	33892256
Arginylvaline,6TMS,isomer #13	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2737.3	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #13	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2657.5	Standard non polar	33892256
Arginylvaline,6TMS,isomer #14	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2830.4	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #14	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2581.0	Standard non polar	33892256
Arginylvaline,6TMS,isomer #15	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2928.6	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #15	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2815.9	Standard non polar	33892256
Arginylvaline,6TMS,isomer #16	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2854.8	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #16	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2589.3	Standard non polar	33892256
Arginylvaline,6TMS,isomer #17	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2923.8	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #17	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2694.3	Standard non polar	33892256
Arginylvaline,6TMS,isomer #2	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2759.2	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #2	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2732.5	Standard non polar	33892256
Arginylvaline,6TMS,isomer #3	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2851.6	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #3	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2714.0	Standard non polar	33892256
Arginylvaline,6TMS,isomer #4	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2686.1	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #4	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2519.3	Standard non polar	33892256
Arginylvaline,6TMS,isomer #5	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2798.6	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #5	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2527.9	Standard non polar	33892256
Arginylvaline,6TMS,isomer #6	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2877.2	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #6	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2744.7	Standard non polar	33892256
Arginylvaline,6TMS,isomer #7	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2713.5	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #7	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2607.2	Standard non polar	33892256
Arginylvaline,6TMS,isomer #8	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2811.7	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #8	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2551.1	Standard non polar	33892256
Arginylvaline,6TMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2948.7	Semi standard non polar	33892256
Arginylvaline,6TMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2792.3	Standard non polar	33892256
Arginylvaline,7TMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2742.4	Semi standard non polar	33892256
Arginylvaline,7TMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2705.4	Standard non polar	33892256
Arginylvaline,7TMS,isomer #2	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2855.8	Semi standard non polar	33892256
Arginylvaline,7TMS,isomer #2	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2643.5	Standard non polar	33892256
Arginylvaline,7TMS,isomer #3	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2965.1	Semi standard non polar	33892256
Arginylvaline,7TMS,isomer #3	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2863.6	Standard non polar	33892256
Arginylvaline,7TMS,isomer #4	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2879.6	Semi standard non polar	33892256
Arginylvaline,7TMS,isomer #4	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2646.0	Standard non polar	33892256
Arginylvaline,7TMS,isomer #5	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2896.9	Semi standard non polar	33892256
Arginylvaline,7TMS,isomer #5	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2746.1	Standard non polar	33892256
Arginylvaline,7TMS,isomer #6	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2936.0	Semi standard non polar	33892256
Arginylvaline,7TMS,isomer #6	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2784.0	Standard non polar	33892256
Arginylvaline,8TMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2964.2	Semi standard non polar	33892256
Arginylvaline,8TMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCN(C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2837.4	Standard non polar	33892256
Arginylvaline,1TBDMS,isomer #1	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	2877.7	Semi standard non polar	33892256
Arginylvaline,1TBDMS,isomer #2	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C(C)(C)C)C(=O)O	2920.2	Semi standard non polar	33892256
Arginylvaline,1TBDMS,isomer #3	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O	3050.1	Semi standard non polar	33892256
Arginylvaline,1TBDMS,isomer #4	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N)N)[Si](C)(C)C(C)(C)C	2844.2	Semi standard non polar	33892256
Arginylvaline,1TBDMS,isomer #5	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	2952.1	Semi standard non polar	33892256
Arginylvaline,1TBDMS,isomer #6	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O	2884.4	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #1	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3089.2	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #1	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2656.9	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3197.3	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2705.0	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #11	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3170.3	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #11	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2659.4	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #12	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3241.3	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #12	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2765.5	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #13	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3179.7	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #13	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2558.3	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #14	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3229.8	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #14	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2781.9	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #15	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3071.7	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #15	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2670.3	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #16	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3004.8	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #16	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2625.3	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #17	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3143.1	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #17	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2634.7	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #2	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3237.6	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #2	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2675.7	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #3	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N)[Si](C)(C)C(C)(C)C	2999.7	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #3	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N)[Si](C)(C)C(C)(C)C	2603.9	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #4	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3127.1	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #4	CC(C)[C@H](NC(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2687.3	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #5	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3040.9	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #5	CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2593.0	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #6	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3300.6	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #6	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2727.3	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #7	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3084.0	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #7	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2625.5	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #8	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3178.5	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #8	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2748.4	Standard non polar	33892256
Arginylvaline,2TBDMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3091.5	Semi standard non polar	33892256
Arginylvaline,2TBDMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2658.5	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #1	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)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	3461.3	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #1	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)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	2898.3	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #10	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3256.6	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #10	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2893.2	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #11	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3162.4	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #11	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCNC(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2803.6	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #12	CC(C)[C@H](NC(=O)[C@@H](N)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	3294.4	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #12	CC(C)[C@H](NC(=O)[C@@H](N)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	2767.0	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #13	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3413.5	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #13	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2889.1	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #14	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3467.9	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #14	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2984.5	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #15	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3394.7	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #15	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2754.7	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #16	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3456.0	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #16	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3022.3	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #17	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)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	3550.9	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #17	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)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	2965.2	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #18	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3312.3	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #18	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2920.1	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #19	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3233.2	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #19	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2822.6	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #2	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3239.6	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #2	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(=N)N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2844.7	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #20	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3344.6	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #20	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2885.8	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #21	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3347.5	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #21	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	2835.7	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #22	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)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	3464.2	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #22	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)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	2996.6	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #23	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=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	3378.2	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #23	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=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	2898.0	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #24	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)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	3361.1	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #24	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)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	2940.2	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #25	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3309.5	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #25	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2756.2	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #26	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3354.9	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #26	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2965.3	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #27	CC(C)[C@H](NC(=O)[C@@H](N)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	3359.7	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #27	CC(C)[C@H](NC(=O)[C@@H](N)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	2760.9	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #28	CC(C)[C@H](NC(=O)[C@@H](N)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	3427.1	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #28	CC(C)[C@H](NC(=O)[C@@H](N)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	3070.4	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #29	CC(C)[C@H](NC(=O)[C@@H](N)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	3375.8	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #29	CC(C)[C@H](NC(=O)[C@@H](N)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	2812.7	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #3	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)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	3305.3	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #3	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)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	2918.3	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #30	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)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	3286.1	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #30	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)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	2822.7	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #4	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=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	3224.3	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #4	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=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	2803.4	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #5	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)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	3359.9	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #5	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)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	2902.4	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #6	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3352.2	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #6	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2877.2	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #7	CC(C)[C@H](NC(=O)[C@@H](N)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	3408.4	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #7	CC(C)[C@H](NC(=O)[C@@H](N)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	2930.3	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #8	CC(C)[C@H](NC(=O)[C@@H](N)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	3342.7	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #8	CC(C)[C@H](NC(=O)[C@@H](N)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	2703.9	Standard non polar	33892256
Arginylvaline,3TBDMS,isomer #9	CC(C)[C@H](NC(=O)[C@@H](N)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	3389.5	Semi standard non polar	33892256
Arginylvaline,3TBDMS,isomer #9	CC(C)[C@H](NC(=O)[C@@H](N)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	2960.4	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3589.1	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3096.9	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)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	3646.6	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)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	3168.9	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #11	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=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	3537.9	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #11	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=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	3052.8	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #12	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)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	3536.2	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #12	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)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	3144.0	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #13	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3449.8	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #13	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2926.8	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #14	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3519.0	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #14	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3171.4	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #15	CC(C)[C@H](NC(=O)[C@@H](N)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	3512.8	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #15	CC(C)[C@H](NC(=O)[C@@H](N)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	2924.6	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #16	CC(C)[C@H](NC(=O)[C@@H](N)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	3611.4	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #16	CC(C)[C@H](NC(=O)[C@@H](N)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	3220.1	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #17	CC(C)[C@H](NC(=O)[C@@H](N)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	3511.6	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #17	CC(C)[C@H](NC(=O)[C@@H](N)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	2969.0	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #18	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)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	3466.4	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #18	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)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	3000.4	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #19	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3594.1	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #19	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3168.4	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #2	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[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	3609.8	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #2	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[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	3150.3	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #20	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3520.6	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #20	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2954.2	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #21	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3600.2	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #21	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3198.8	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #22	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)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	3677.0	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #22	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)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	3145.3	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #23	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O	3551.4	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #23	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O	2978.4	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #24	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O	3654.4	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #24	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O	3279.7	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #25	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3756.7	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #25	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3228.2	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #26	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O	3579.8	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #26	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O	3023.2	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #27	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)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	3697.4	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #27	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)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	3003.0	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #28	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3749.8	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #28	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3255.3	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #29	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3508.7	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #29	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3034.4	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #3	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)C)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	3544.4	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #3	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)C)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	2925.8	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #30	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)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	3608.9	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #30	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)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	3185.2	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #31	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(N)=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	3533.7	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #31	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(N)=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	3085.2	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #32	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3679.2	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #32	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3090.5	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #33	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)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	3506.2	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #33	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)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	2970.3	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #34	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)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)[Si](C)(C)C(C)(C)C	3576.6	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #34	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)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)[Si](C)(C)C(C)(C)C	3246.2	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #35	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=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	3521.5	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #35	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCNC(=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	3017.3	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #36	CC(C)[C@H](NC(=O)[C@@H](N)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	3616.8	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #36	CC(C)[C@H](NC(=O)[C@@H](N)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	3126.1	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #4	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[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	3600.1	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #4	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[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	3186.3	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #5	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)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	3724.2	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #5	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)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	3142.7	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #6	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3478.9	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #6	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3125.0	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #7	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3378.3	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #7	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(N)=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3004.8	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #8	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3519.9	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #8	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3111.3	Standard non polar	33892256
Arginylvaline,4TBDMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[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	3484.8	Semi standard non polar	33892256
Arginylvaline,4TBDMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[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	2995.9	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3735.3	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #1	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3365.6	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3890.8	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #10	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3434.3	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #11	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3650.8	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #11	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3210.8	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #12	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCN(C(=N)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	3803.7	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #12	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCN(C(=N)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	3389.3	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #13	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(N)=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	3717.3	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #13	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(N)=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	3271.6	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #14	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3849.9	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #14	CC(C)[C@H](NC(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3258.6	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #15	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)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	3641.3	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #15	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)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	3154.2	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #16	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)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)[Si](C)(C)C(C)(C)C	3743.9	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #16	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)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)[Si](C)(C)C(C)(C)C	3435.8	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #17	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCNC(=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	3665.4	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #17	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCNC(=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	3199.4	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #18	CC(C)[C@H](NC(=O)[C@@H](N)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	3766.1	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #18	CC(C)[C@H](NC(=O)[C@@H](N)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	3295.7	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #19	CC(C)[C@@H](C(=O)O)N(C(=O)[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)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3707.7	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #19	CC(C)[C@@H](C(=O)O)N(C(=O)[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)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3191.1	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #2	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3642.5	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #2	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3144.3	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #20	CC(C)[C@@H](C(=O)O)N(C(=O)[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)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3819.9	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #20	CC(C)[C@@H](C(=O)O)N(C(=O)[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)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3468.3	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #21	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3890.1	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #21	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3431.9	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #22	CC(C)[C@@H](C(=O)O)N(C(=O)[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)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3740.0	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #22	CC(C)[C@@H](C(=O)O)N(C(=O)[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)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3235.4	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #23	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)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	3817.2	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #23	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)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	3222.7	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #24	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3870.9	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #24	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3451.5	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #25	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O	3815.9	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #25	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O	3354.4	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #26	CC(C)[C@H](NC(=O)[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3908.2	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #26	CC(C)[C@H](NC(=O)[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3243.2	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #27	CC(C)[C@H](NC(=O)[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3977.4	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #27	CC(C)[C@H](NC(=O)[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3519.3	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #28	CC(C)[C@H](NC(=O)[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3909.2	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #28	CC(C)[C@H](NC(=O)[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)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3277.1	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #29	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3832.2	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #29	CC(C)[C@@H](C(=O)O)N(C(=O)[C@H](CCCN(C(N)=N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3304.2	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #3	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3734.8	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #3	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3394.4	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #30	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)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)[Si](C)(C)C(C)(C)C	3761.4	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #30	CC(C)[C@@H](C(=O)O)N(C(=O)[C@@H](N)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)[Si](C)(C)C(C)(C)C	3334.0	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #4	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(=N)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	3856.9	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #4	CC(C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCNC(=N)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	3356.1	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #5	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3663.7	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #5	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3159.0	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #6	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3818.5	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #6	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3443.0	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #7	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3926.8	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #7	CC(C)[C@H](NC(=O)[C@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3411.5	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #8	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3680.3	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #8	CC(C)[C@H](NC(=O)[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)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3199.6	Standard non polar	33892256
Arginylvaline,5TBDMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)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	3827.1	Semi standard non polar	33892256
Arginylvaline,5TBDMS,isomer #9	CC(C)[C@H](NC(=O)[C@H](CCCNC(=N[Si](C)(C)C(C)(C)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	3190.1	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Arginylvaline 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 - Arginylvaline 10V, Positive-QTOF	splash10-05di-1490000000-0c8a19e9673aa71ce0be	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylvaline 20V, Positive-QTOF	splash10-03mi-8930000000-5743c77eff50da2d0403	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylvaline 40V, Positive-QTOF	splash10-03di-9100000000-c471f0cd33ef1f7bbae0	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylvaline 10V, Negative-QTOF	splash10-00e9-1190000000-df306fc827d843b8165a	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylvaline 20V, Negative-QTOF	splash10-0ce9-6690000000-41c84f886d0709163357	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylvaline 40V, Negative-QTOF	splash10-052f-9200000000-b6540da98c79884014e7	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylvaline 10V, Positive-QTOF	splash10-05fr-0090000000-992bef0018ef31698bbe	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylvaline 20V, Positive-QTOF	splash10-056r-3960000000-adc38a87e3deb6ebb3b1	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylvaline 40V, Positive-QTOF	splash10-00di-9400000000-36cec4ac6027ce0d45a2	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylvaline 10V, Negative-QTOF	splash10-00di-0090000000-aac4f40d9b19c83567b8	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylvaline 20V, Negative-QTOF	splash10-0ab9-1940000000-5643cf2af6a45d251fdd	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylvaline 40V, Negative-QTOF	splash10-0006-9300000000-c5ac33282d4ffad093b7	2021-10-11	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

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	27015276	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal Cancer	27275383	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

Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
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

FDB111779

KNApSAcK ID

Not Available

Chemspider ID

5360779

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6992654

PDB ID

Not Available

ChEBI ID

73823

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 Arginylvaline (HMDB0028722)

MOL for HMDB0028722 (Arginylvaline)

3D MOL for HMDB0028722 (Arginylvaline)

3D SDF for HMDB0028722 (Arginylvaline)

3D-SDF for HMDB0028722 (Arginylvaline)

PDB for HMDB0028722 (Arginylvaline)

3D PDB for HMDB0028722 (Arginylvaline)

SMILES for HMDB0028722 (Arginylvaline)

INCHI for HMDB0028722 (Arginylvaline)

Structure for HMDB0028722 (Arginylvaline)

3D Structure for HMDB0028722 (Arginylvaline)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra