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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-06 21:03:21 UTC

Update Date

2022-09-22 18:35:08 UTC

HMDB ID

HMDB0029011

Secondary Accession Numbers

HMDB29011

Metabolite Identification

Common Name

Prolyl-Arginine

Description

Prolyl-Arginine is a dipeptide composed of proline and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.

Structure

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

HMDB0029011
     RDKit          3D
Prolyl-Arginine
 40 40  0  0  0  0  0  0  0  0999 V2000
    4.8158    0.9236   -1.4373 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4263   -0.1945   -0.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4789   -1.3300   -1.7824 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9665   -0.3262    0.3927 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6824    0.7511    1.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5283    1.6333    1.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431    1.2229    1.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5442    0.2475    0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9261    0.1500    0.6229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9365    0.5566   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6356    1.0116   -1.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3312    0.4390    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6184   -1.0576    0.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9405   -1.2397   -0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4817    0.1729   -0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2779    0.8962   -0.8188 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9558   -1.1590    0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6273   -1.8163    1.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6639   -1.8410   -0.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    1.8217   -0.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034   -1.4102   -2.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1925   -2.0539   -1.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8488   -1.3251    0.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    0.2945    2.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6431    1.3837    1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7185    2.2057    0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7092    2.5647    1.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9382    0.9464    2.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5157    2.2083    0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5225    0.6342   -0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0509   -0.2291    1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5491    0.9480    1.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8157   -1.6764   -0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6717   -1.3311    1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6748   -1.5096   -1.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5953   -1.9729    0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3170    0.3307   -1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6422    0.4741    0.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0070    0.5363   -1.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643   -1.8807   -1.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
  8 17  1  0
 17 18  2  0
 17 19  1  0
 16 12  1  0
  1 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
  9 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 16 39  1  0
 19 40  1  0
M  END


  Mrv1652304062014072D          

 19 19  0  0  0  0            999 V2000
    0.4875   -1.6527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2269   -1.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2269   -0.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0277   -2.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8346   -2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2471   -1.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951   -1.3171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020   -1.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9165   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6309   -1.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3454   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0599   -1.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7744   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4888   -1.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7744   -2.4777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020   -0.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9165   -0.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -0.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029011

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(=N)NCCCC(NC(=O)C1CCCN1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H21N5O3/c12-11(13)15-6-2-4-8(10(18)19)16-9(17)7-3-1-5-14-7/h7-8,14H,1-6H2,(H,16,17)(H,18,19)(H4,12,13,15)

> <INCHI_KEY>
HMNSRTLZAJHSIK-UHFFFAOYSA-N

> <FORMULA>
C11H21N5O3

> <MOLECULAR_WEIGHT>
271.3161

> <EXACT_MASS>
271.164439563

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
28.564110394806683

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-carbamimidamido-2-[(pyrrolidin-2-yl)formamido]pentanoic acid

> <ALOGPS_LOGP>
-2.88

> <JCHEM_LOGP>
-3.2503184356545587

> <ALOGPS_LOGS>
-2.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.714912825696477

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6441435238087783

> <JCHEM_PKA_STRONGEST_BASIC>
12.058872920903926

> <JCHEM_POLAR_SURFACE_AREA>
140.33

> <JCHEM_REFRACTIVITY>
78.78749999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.58e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-carbamimidamido-2-(pyrrolidin-2-ylformamido)pentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029011
     RDKit          3D
Prolyl-Arginine
 40 40  0  0  0  0  0  0  0  0999 V2000
    4.8158    0.9236   -1.4373 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4263   -0.1945   -0.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4789   -1.3300   -1.7824 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9665   -0.3262    0.3927 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6824    0.7511    1.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5283    1.6333    1.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431    1.2229    1.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5442    0.2475    0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9261    0.1500    0.6229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9365    0.5566   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6356    1.0116   -1.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3312    0.4390    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6184   -1.0576    0.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9405   -1.2397   -0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4817    0.1729   -0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2779    0.8962   -0.8188 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9558   -1.1590    0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6273   -1.8163    1.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6639   -1.8410   -0.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    1.8217   -0.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034   -1.4102   -2.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1925   -2.0539   -1.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8488   -1.3251    0.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    0.2945    2.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6431    1.3837    1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7185    2.2057    0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7092    2.5647    1.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9382    0.9464    2.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5157    2.2083    0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5225    0.6342   -0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0509   -0.2291    1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5491    0.9480    1.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8157   -1.6764   -0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6717   -1.3311    1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6748   -1.5096   -1.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5953   -1.9729    0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3170    0.3307   -1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6422    0.4741    0.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0070    0.5363   -1.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643   -1.8807   -1.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
  8 17  1  0
 17 18  2  0
 17 19  1  0
 16 12  1  0
  1 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
  9 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 16 39  1  0
 19 40  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  N   UNK     0       0.910  -3.085   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -0.424  -2.315   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -0.424  -0.775   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -1.757  -3.085   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.918  -4.616   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.425  -4.937   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.195  -3.603   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -3.164  -2.459   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       2.244  -2.315   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.577  -3.085   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.911  -2.315   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.245  -3.085   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       7.578  -2.315   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       8.912  -3.085   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0      10.246  -2.315   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0       8.912  -4.625   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       2.244  -0.775   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.577  -0.005   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       0.910  -0.005   0.000  0.00  0.00           O+0
CONECT    1    2    9                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    4                                                       
CONECT    9    1   10   17                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    9   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

COMPND    HMDB0029011
HETATM    1  N1  UNL     1       4.816   0.924  -1.437  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.426  -0.195  -0.942  1.00  0.00           C  
HETATM    3  N2  UNL     1       4.479  -1.330  -1.782  1.00  0.00           N  
HETATM    4  N3  UNL     1       3.967  -0.326   0.393  1.00  0.00           N  
HETATM    5  C2  UNL     1       3.682   0.751   1.264  1.00  0.00           C  
HETATM    6  C3  UNL     1       2.528   1.633   1.035  1.00  0.00           C  
HETATM    7  C4  UNL     1       1.143   1.223   1.119  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.544   0.248   0.220  1.00  0.00           C  
HETATM    9  N4  UNL     1      -0.926   0.150   0.623  1.00  0.00           N  
HETATM   10  C6  UNL     1      -1.937   0.557  -0.263  1.00  0.00           C  
HETATM   11  O1  UNL     1      -1.636   1.012  -1.410  1.00  0.00           O  
HETATM   12  C7  UNL     1      -3.331   0.439   0.176  1.00  0.00           C  
HETATM   13  C8  UNL     1      -3.618  -1.058   0.336  1.00  0.00           C  
HETATM   14  C9  UNL     1      -4.940  -1.240  -0.384  1.00  0.00           C  
HETATM   15  C10 UNL     1      -5.482   0.173  -0.374  1.00  0.00           C  
HETATM   16  N5  UNL     1      -4.278   0.896  -0.819  1.00  0.00           N  
HETATM   17  C11 UNL     1       0.956  -1.159   0.300  1.00  0.00           C  
HETATM   18  O2  UNL     1       0.627  -1.816   1.328  1.00  0.00           O  
HETATM   19  O3  UNL     1       1.664  -1.841  -0.658  1.00  0.00           O  
HETATM   20  H1  UNL     1       4.830   1.822  -0.940  1.00  0.00           H  
HETATM   21  H2  UNL     1       3.803  -1.410  -2.569  1.00  0.00           H  
HETATM   22  H3  UNL     1       5.192  -2.054  -1.588  1.00  0.00           H  
HETATM   23  H4  UNL     1       3.849  -1.325   0.748  1.00  0.00           H  
HETATM   24  H5  UNL     1       3.553   0.294   2.313  1.00  0.00           H  
HETATM   25  H6  UNL     1       4.643   1.384   1.407  1.00  0.00           H  
HETATM   26  H7  UNL     1       2.718   2.206   0.023  1.00  0.00           H  
HETATM   27  H8  UNL     1       2.709   2.565   1.727  1.00  0.00           H  
HETATM   28  H9  UNL     1       0.938   0.946   2.228  1.00  0.00           H  
HETATM   29  H10 UNL     1       0.516   2.208   0.992  1.00  0.00           H  
HETATM   30  H11 UNL     1       0.522   0.634  -0.812  1.00  0.00           H  
HETATM   31  H12 UNL     1      -1.051  -0.229   1.569  1.00  0.00           H  
HETATM   32  H13 UNL     1      -3.549   0.948   1.117  1.00  0.00           H  
HETATM   33  H14 UNL     1      -2.816  -1.676  -0.136  1.00  0.00           H  
HETATM   34  H15 UNL     1      -3.672  -1.331   1.409  1.00  0.00           H  
HETATM   35  H16 UNL     1      -4.675  -1.510  -1.447  1.00  0.00           H  
HETATM   36  H17 UNL     1      -5.595  -1.973   0.089  1.00  0.00           H  
HETATM   37  H18 UNL     1      -6.317   0.331  -1.050  1.00  0.00           H  
HETATM   38  H19 UNL     1      -5.642   0.474   0.672  1.00  0.00           H  
HETATM   39  H20 UNL     1      -4.007   0.536  -1.783  1.00  0.00           H  
HETATM   40  H21 UNL     1       1.364  -1.881  -1.632  1.00  0.00           H  
CONECT    1    2    2   20
CONECT    2    3    4
CONECT    3   21   22
CONECT    4    5   23
CONECT    5    6   24   25
CONECT    6    7   26   27
CONECT    7    8   28   29
CONECT    8    9   17   30
CONECT    9   10   31
CONECT   10   11   11   12
CONECT   12   13   16   32
CONECT   13   14   33   34
CONECT   14   15   35   36
CONECT   15   16   37   38
CONECT   16   39
CONECT   17   18   18   19
CONECT   19   40
END

HMDB0029011
     RDKit          3D
Prolyl-Arginine
 40 40  0  0  0  0  0  0  0  0999 V2000
    4.8158    0.9236   -1.4373 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4263   -0.1945   -0.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4789   -1.3300   -1.7824 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9665   -0.3262    0.3927 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6824    0.7511    1.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5283    1.6333    1.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431    1.2229    1.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5442    0.2475    0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9261    0.1500    0.6229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9365    0.5566   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6356    1.0116   -1.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3312    0.4390    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6184   -1.0576    0.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9405   -1.2397   -0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4817    0.1729   -0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2779    0.8962   -0.8188 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9558   -1.1590    0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6273   -1.8163    1.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6639   -1.8410   -0.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    1.8217   -0.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034   -1.4102   -2.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1925   -2.0539   -1.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8488   -1.3251    0.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    0.2945    2.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6431    1.3837    1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7185    2.2057    0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7092    2.5647    1.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9382    0.9464    2.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5157    2.2083    0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5225    0.6342   -0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0509   -0.2291    1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5491    0.9480    1.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8157   -1.6764   -0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6717   -1.3311    1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6748   -1.5096   -1.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5953   -1.9729    0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3170    0.3307   -1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6422    0.4741    0.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0070    0.5363   -1.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643   -1.8807   -1.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
  8 17  1  0
 17 18  2  0
 17 19  1  0
 16 12  1  0
  1 20  1  0
  3 21  1  0
  3 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
  9 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 16 39  1  0
 19 40  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
L-Prolyl-L-arginine	HMDB
p-R Dipeptide	HMDB
PR Dipeptide	HMDB
Pro-arg	HMDB
Proline arginine dipeptide	HMDB
Proline-arginine dipeptide	HMDB
Prolylarginine	HMDB
Prolylarginine, (D-arg-L-pro)-isomer	HMDB
Prolylarginine, (L-arg-D-pro)-isomer	HMDB
5-Carbamimidamido-2-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}pentanoate	HMDB

Chemical Formula

C₁₁H₂₁N₅O₃

Average Molecular Weight

271.3161

Monoisotopic Molecular Weight

271.164439563

IUPAC Name

5-carbamimidamido-2-[(pyrrolidin-2-yl)formamido]pentanoic acid

Traditional Name

5-carbamimidamido-2-(pyrrolidin-2-ylformamido)pentanoic acid

CAS Registry Number

Not Available

SMILES

NC(=N)NCCCC(NC(=O)C1CCCN1)C(O)=O

InChI Identifier

InChI=1S/C11H21N5O3/c12-11(13)15-6-2-4-8(10(18)19)16-9(17)7-3-1-5-14-7/h7-8,14H,1-6H2,(H,16,17)(H,18,19)(H4,12,13,15)

InChI Key

HMNSRTLZAJHSIK-UHFFFAOYSA-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
Proline or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Heterocyclic fatty acid
Fatty acyl
Fatty acid
Pyrrolidine
Amino acid or derivatives
Carboxamide group
Guanidine
Amino acid
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Secondary amine
Carboxylic acid
Monocarboxylic acid or derivatives
Secondary aliphatic amine
Hydrocarbon derivative
Organic oxygen compound
Organopnictogen compound
Organic oxide
Organic nitrogen compound
Carbonyl group
Amine
Organonitrogen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

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	-3.41	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.36 g/L	ALOGPS
logP	-2.9	ALOGPS
logP	-3.3	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	3.64	ChemAxon
pKa (Strongest Basic)	12.06	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	140.33 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	78.79 m³·mol⁻¹	ChemAxon
Polarizability	28.56 Å³	ChemAxon
Number of Rings	1	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
DarkChem	[M+H]+	162.36	31661259
DarkChem	[M-H]-	159.551	31661259
DeepCCS	[M+H]+	159.591	30932474
DeepCCS	[M-H]-	157.233	30932474
DeepCCS	[M-2H]-	191.141	30932474
DeepCCS	[M+Na]+	166.62	30932474
AllCCS	[M+H]+	160.0	32859911
AllCCS	[M+H-H2O]+	156.9	32859911
AllCCS	[M+NH4]+	162.9	32859911
AllCCS	[M+Na]+	163.8	32859911
AllCCS	[M-H]-	164.1	32859911
AllCCS	[M+Na-2H]-	164.3	32859911
AllCCS	[M+HCOO]-	164.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Prolyl-Arginine	NC(=N)NCCCC(NC(=O)C1CCCN1)C(O)=O	3792.7	Standard polar	33892256
Prolyl-Arginine	NC(=N)NCCCC(NC(=O)C1CCCN1)C(O)=O	2503.4	Standard non polar	33892256
Prolyl-Arginine	NC(=N)NCCCC(NC(=O)C1CCCN1)C(O)=O	2956.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Prolyl-Arginine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1	2824.3	Semi standard non polar	33892256
Prolyl-Arginine,1TMS,isomer #2	C[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1)C(=O)O	2978.4	Semi standard non polar	33892256
Prolyl-Arginine,1TMS,isomer #3	C[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1)C(=O)O	2802.5	Semi standard non polar	33892256
Prolyl-Arginine,1TMS,isomer #4	C[Si](C)(C)N(CCCC(NC(=O)C1CCCN1)C(=O)O)C(=N)N	2909.5	Semi standard non polar	33892256
Prolyl-Arginine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)C1CCCN1)C(CCCNC(=N)N)C(=O)O	2824.1	Semi standard non polar	33892256
Prolyl-Arginine,1TMS,isomer #6	C[Si](C)(C)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O	2877.4	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #1	C[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C	2949.9	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #1	C[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C	2501.5	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #10	C[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O	2999.8	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #10	C[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O	2588.0	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #11	C[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C	2856.9	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #11	C[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C	2570.4	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #12	C[Si](C)(C)N=C(N)NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C	2727.6	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #12	C[Si](C)(C)N=C(N)NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C	2529.6	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #13	C[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O	2779.5	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #13	C[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O	2519.6	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #14	C[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)C(=N)N	2816.6	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #14	C[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)C(=N)N	2537.0	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #15	C[Si](C)(C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N	2878.6	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #15	C[Si](C)(C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N	2603.6	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #16	C[Si](C)(C)N1CCCC1C(=O)N(C(CCCNC(=N)N)C(=O)O)[Si](C)(C)C	2783.2	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #16	C[Si](C)(C)N1CCCC1C(=O)N(C(CCCNC(=N)N)C(=O)O)[Si](C)(C)C	2453.8	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C)NC(=O)C1CCCN1	2842.0	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C)NC(=O)C1CCCN1	2491.8	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #3	C[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C	2731.3	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #3	C[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C	2431.0	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCCNC(=N)N)N(C(=O)C1CCCN1)[Si](C)(C)C	2738.1	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCCNC(=N)N)N(C(=O)C1CCCN1)[Si](C)(C)C	2425.6	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1[Si](C)(C)C	2816.8	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1[Si](C)(C)C	2448.1	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #6	C[Si](C)(C)N(C(=N)NCCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C	3051.7	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #6	C[Si](C)(C)N(C(=N)NCCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C	2632.7	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #7	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O)N[Si](C)(C)C	2893.2	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #7	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O)N[Si](C)(C)C	2468.0	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #8	C[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C	2974.1	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #8	C[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C	2623.0	Standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #9	C[Si](C)(C)NC(=N)NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C	2910.2	Semi standard non polar	33892256
Prolyl-Arginine,2TMS,isomer #9	C[Si](C)(C)NC(=N)NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C	2545.4	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1	2986.9	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1	2653.1	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #10	C[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2707.4	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #10	C[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2510.7	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #11	C[Si](C)(C)OC(=O)C(CCCNC(=N)N)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2775.4	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #11	C[Si](C)(C)OC(=O)C(CCCNC(=N)N)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2479.5	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #12	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2928.3	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #12	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2611.1	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #13	C[Si](C)(C)N(CCCC(NC(=O)C1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2990.2	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #13	C[Si](C)(C)N(CCCC(NC(=O)C1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2776.8	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #14	C[Si](C)(C)N(C(=O)C1CCCN1)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2920.2	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #14	C[Si](C)(C)N(C(=O)C1CCCN1)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2711.5	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #15	C[Si](C)(C)N1CCCC1C(=O)NC(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3007.3	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #15	C[Si](C)(C)N1CCCC1C(=O)NC(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2741.0	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #16	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C	2911.3	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #16	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C	2579.9	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #17	C[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	2817.5	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #17	C[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	2531.4	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #18	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2898.7	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #18	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2533.4	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #19	C[Si](C)(C)NC(=N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	2884.8	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #19	C[Si](C)(C)NC(=N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	2669.3	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #2	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2841.9	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #2	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2444.0	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #20	C[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2959.9	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #20	C[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2722.8	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #21	C[Si](C)(C)NC(=N)NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2915.9	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #21	C[Si](C)(C)NC(=N)NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2615.5	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #22	C[Si](C)(C)N=C(N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	2745.3	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #22	C[Si](C)(C)N=C(N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	2577.5	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #23	C[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2825.0	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #23	C[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2582.8	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #24	C[Si](C)(C)N=C(N)NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2713.9	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #24	C[Si](C)(C)N=C(N)NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2544.6	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #25	C[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N	2776.2	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #25	C[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N	2589.5	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2909.7	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2615.3	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #4	C[Si](C)(C)NC(=N)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C	2865.1	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #4	C[Si](C)(C)NC(=N)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C	2577.1	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #5	C[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2955.1	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #5	C[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2603.3	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #6	C[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2785.8	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #6	C[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2486.8	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C	2743.1	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C	2549.9	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C)NC(=O)C1CCCN1[Si](C)(C)C	2805.3	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C)NC(=O)C1CCCN1[Si](C)(C)C	2582.2	Standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #9	C[Si](C)(C)N=C(N)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C	2660.5	Semi standard non polar	33892256
Prolyl-Arginine,3TMS,isomer #9	C[Si](C)(C)N=C(N)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C	2501.7	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1	2899.6	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1	2778.1	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #10	C[Si](C)(C)NC(=N)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2921.3	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #10	C[Si](C)(C)NC(=N)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2625.4	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #11	C[Si](C)(C)N=C(N)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	2690.9	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #11	C[Si](C)(C)N=C(N)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	2542.9	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #12	C[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2775.4	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #12	C[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2551.9	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #13	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2781.7	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #13	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2603.2	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #14	C[Si](C)(C)N=C(N)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2693.6	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #14	C[Si](C)(C)N=C(N)NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2533.6	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #15	C[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2909.6	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #15	C[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2748.5	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #16	C[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2790.6	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #16	C[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2650.6	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #17	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2887.5	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #17	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2654.7	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #18	C[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2896.8	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #18	C[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2831.0	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #19	C[Si](C)(C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2957.9	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #19	C[Si](C)(C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2879.0	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #2	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2844.5	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #2	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2554.1	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #20	C[Si](C)(C)N1CCCC1C(=O)N(C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2926.5	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #20	C[Si](C)(C)N1CCCC1C(=O)N(C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2759.6	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #21	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	2808.9	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #21	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	2610.8	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #22	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2890.5	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #22	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2609.2	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #23	C[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	2852.6	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #23	C[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	2545.2	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #24	C[Si](C)(C)NC(=N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2887.0	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #24	C[Si](C)(C)NC(=N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2709.4	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #25	C[Si](C)(C)N=C(N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2751.6	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #25	C[Si](C)(C)N=C(N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2589.5	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C	2832.9	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C	2718.4	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1[Si](C)(C)C	2926.8	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1[Si](C)(C)C	2746.9	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #5	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2829.4	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #5	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2521.9	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #6	C[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	2753.6	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #6	C[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C)N[Si](C)(C)C	2508.7	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #7	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2828.2	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #7	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2531.5	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #8	C[Si](C)(C)NC(=N)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	2833.9	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #8	C[Si](C)(C)NC(=N)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	2663.4	Standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #9	C[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2892.2	Semi standard non polar	33892256
Prolyl-Arginine,4TMS,isomer #9	C[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2696.1	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #1	C[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2860.9	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #1	C[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2704.1	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #10	C[Si](C)(C)NC(=N)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2879.0	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #10	C[Si](C)(C)NC(=N)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2728.7	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #11	C[Si](C)(C)N=C(N)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2765.0	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #11	C[Si](C)(C)N=C(N)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2587.5	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #12	C[Si](C)(C)N=C(N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2808.4	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #12	C[Si](C)(C)N=C(N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2789.8	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #13	C[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2908.2	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #13	C[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2798.4	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #14	C[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2856.4	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #14	C[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2645.7	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #15	C[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2908.5	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #15	C[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2867.6	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #16	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2838.7	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #16	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2631.1	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C	2823.4	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C	2820.2	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1[Si](C)(C)C	2900.1	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)NC(=O)C1CCCN1[Si](C)(C)C	2850.1	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #4	C[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2730.7	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #4	C[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2612.3	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #5	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2835.1	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #5	C[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2635.3	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2899.8	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2766.9	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #7	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	2736.6	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #7	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C	2591.4	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #8	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2818.7	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #8	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2611.5	Standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #9	C[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	2829.3	Semi standard non polar	33892256
Prolyl-Arginine,5TMS,isomer #9	C[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	2555.2	Standard non polar	33892256
Prolyl-Arginine,6TMS,isomer #1	C[Si](C)(C)N=C(N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2786.7	Semi standard non polar	33892256
Prolyl-Arginine,6TMS,isomer #1	C[Si](C)(C)N=C(N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2770.7	Standard non polar	33892256
Prolyl-Arginine,6TMS,isomer #2	C[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2894.5	Semi standard non polar	33892256
Prolyl-Arginine,6TMS,isomer #2	C[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2792.1	Standard non polar	33892256
Prolyl-Arginine,6TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2926.8	Semi standard non polar	33892256
Prolyl-Arginine,6TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C	2874.0	Standard non polar	33892256
Prolyl-Arginine,6TMS,isomer #4	C[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2854.4	Semi standard non polar	33892256
Prolyl-Arginine,6TMS,isomer #4	C[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2654.3	Standard non polar	33892256
Prolyl-Arginine,6TMS,isomer #5	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2832.2	Semi standard non polar	33892256
Prolyl-Arginine,6TMS,isomer #5	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2640.2	Standard non polar	33892256
Prolyl-Arginine,6TMS,isomer #6	C[Si](C)(C)N=C(N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2894.0	Semi standard non polar	33892256
Prolyl-Arginine,6TMS,isomer #6	C[Si](C)(C)N=C(N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2812.0	Standard non polar	33892256
Prolyl-Arginine,7TMS,isomer #1	C[Si](C)(C)N=C(N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2902.5	Semi standard non polar	33892256
Prolyl-Arginine,7TMS,isomer #1	C[Si](C)(C)N=C(N(CCCC(C(=O)O[Si](C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2820.1	Standard non polar	33892256
Prolyl-Arginine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1	3062.9	Semi standard non polar	33892256
Prolyl-Arginine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1)C(=O)O	3214.5	Semi standard non polar	33892256
Prolyl-Arginine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1)C(=O)O	3058.0	Semi standard non polar	33892256
Prolyl-Arginine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(CCCC(NC(=O)C1CCCN1)C(=O)O)C(=N)N	3115.4	Semi standard non polar	33892256
Prolyl-Arginine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCN1)C(CCCNC(=N)N)C(=O)O	3045.1	Semi standard non polar	33892256
Prolyl-Arginine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O	3113.9	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	3453.9	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	2879.0	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	3474.6	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	2957.8	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	3319.9	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	2922.3	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3191.7	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	2855.3	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	3261.5	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O	2895.0	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)C(=N)N	3296.9	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)C(=N)N	2913.6	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	3345.7	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	2980.0	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N1CCCC1C(=O)N(C(CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	3238.6	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N1CCCC1C(=O)N(C(CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	2824.2	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)C1CCCN1	3322.9	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)C1CCCN1	2904.0	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	3215.9	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C	2812.0	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3196.1	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	2822.0	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	3299.3	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	2846.7	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=N)NCCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	3462.3	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=N)NCCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	3002.9	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O)N[Si](C)(C)C(C)(C)C	3381.9	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O)N[Si](C)(C)C(C)(C)C	2821.0	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	3458.4	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	2995.8	Standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3368.0	Semi standard non polar	33892256
Prolyl-Arginine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	2896.2	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C1CCCN1	3604.0	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C1CCCN1	3176.1	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3388.0	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3028.3	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3415.9	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3027.7	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3555.7	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3114.7	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(CCCC(NC(=O)C1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3620.3	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(CCCC(NC(=O)C1CCCN1)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3313.7	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCN1)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3555.0	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCN1)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3188.5	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N1CCCC1C(=O)NC(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3641.8	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N1CCCC1C(=O)NC(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3258.0	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	3565.8	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C	3056.2	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3474.7	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2985.2	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3570.6	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3016.5	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3589.0	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3160.6	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3528.0	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2926.6	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3656.9	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3235.3	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3553.8	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3096.0	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3451.6	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3047.6	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3506.0	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3083.7	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3372.7	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3020.3	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	3466.4	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	3113.6	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3619.9	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3155.1	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3536.9	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3075.9	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3627.9	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3119.7	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3455.1	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3010.5	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3448.3	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3102.0	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	3491.1	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	3135.0	Standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3320.3	Semi standard non polar	33892256
Prolyl-Arginine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3004.4	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(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)NC(=O)C1CCCN1	3770.5	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(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)NC(=O)C1CCCN1	3444.9	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3725.1	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=N)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3268.1	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3589.0	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3186.7	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3663.7	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3201.9	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3636.6	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3293.0	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3525.5	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3177.3	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3739.2	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3392.5	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3649.7	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3245.8	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3748.1	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3279.9	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3740.5	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3447.8	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3821.0	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3517.9	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3675.1	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3209.1	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N1CCCC1C(=O)N(C(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	3733.0	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N1CCCC1C(=O)N(C(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	3372.1	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3646.2	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3195.4	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3742.3	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3227.4	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3662.5	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3139.8	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3738.3	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3345.2	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3635.1	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3210.1	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3673.7	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3357.5	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	3768.4	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	3393.6	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3669.8	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3153.2	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3595.3	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3117.2	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3687.6	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3145.0	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3713.2	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3324.4	Standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3782.8	Semi standard non polar	33892256
Prolyl-Arginine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3362.1	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3884.6	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3498.3	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3897.7	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=N)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3515.4	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3801.6	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3369.8	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[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	3864.6	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N(CCCC(C(=O)O)N(C(=O)C1CCCN1)[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	3522.9	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3970.4	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3565.5	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1[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	3861.3	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O)N(C(=O)C1CCCN1[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	3409.8	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3964.3	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3625.2	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3856.1	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(C(=O)O)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3367.1	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(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(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3880.8	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(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(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C	3606.6	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(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)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	3980.2	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(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)NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C	3633.0	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3751.9	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3393.1	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3862.8	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3411.2	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3873.0	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3545.2	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3751.7	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3345.1	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3868.7	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCCC(NC(=O)C1CCCN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3361.9	Standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3802.5	Semi standard non polar	33892256
Prolyl-Arginine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C1CCCN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3316.2	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Prolyl-Arginine GC-MS (Non-derivatized) - 70eV, Positive	splash10-00di-9110000000-0c74bda95887c1979015	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prolyl-Arginine GC-MS (1 TMS) - 70eV, Positive	splash10-00fr-9150000000-3b3b72eaa0a6f2d30681	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Prolyl-Arginine 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 - Prolyl-Arginine 10V, Positive-QTOF	splash10-00di-5190000000-660d2e932a08f1171ab3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prolyl-Arginine 20V, Positive-QTOF	splash10-00di-9420000000-b54bc0e8d7c280b7125b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prolyl-Arginine 40V, Positive-QTOF	splash10-00dl-9000000000-56ebb7909143002a5788	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prolyl-Arginine 10V, Negative-QTOF	splash10-00b9-1190000000-089b7502da69e33bace7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prolyl-Arginine 20V, Negative-QTOF	splash10-06ur-6980000000-39763ee53513efffa08b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prolyl-Arginine 40V, Negative-QTOF	splash10-052f-9100000000-11175064258a4ef4bb37	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prolyl-Arginine 10V, Positive-QTOF	splash10-00di-5090000000-c61b57994031a92b5d79	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prolyl-Arginine 20V, Positive-QTOF	splash10-00di-9850000000-92c0cfb951e4cc6703d3	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prolyl-Arginine 40V, Positive-QTOF	splash10-00di-9200000000-ec71901177d61dce4584	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prolyl-Arginine 10V, Negative-QTOF	splash10-00di-0090000000-445fb75fa4c30c8a89fa	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prolyl-Arginine 20V, Negative-QTOF	splash10-0089-3960000000-13abb07770c247545723	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Prolyl-Arginine 40V, Negative-QTOF	splash10-0006-9100000000-9cf17b7b00ee0c87fb05	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	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

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Asthma	33739820	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Asthma	33739820	details

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112027

KNApSAcK ID

Not Available

Chemspider ID

7989825

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9814075

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Schug KA, Lindner W, Lemr K: Isomeric discrimination of arginine-containing dipeptides using electrospray ionization-ion trap mass spectrometry and the kinetic method. J Am Soc Mass Spectrom. 2004 Jun;15(6):840-7. [PubMed:15144973 ]
Kurzwelly D, Barann M, Kostanian A, Combrink S, Bonisch H, Gothert M, Bruss M: Pharmacological and electrophysiological properties of the naturally occurring Pro391Arg variant of the human 5-HT3A receptor. Pharmacogenetics. 2004 Mar;14(3):165-72. [PubMed:15167704 ]
Zhu YS, Zhang XY, Cartwright CP, Tipper DJ: Kex2-dependent processing of yeast K1 killer preprotoxin includes cleavage at ProArg-44. Mol Microbiol. 1992 Feb;6(4):511-20. [PubMed:1560780 ]
Yegneswaran S, Nguyen PM, Gale AJ, Griffin JH: Prothrombin amino terminal region helps protect coagulation factor Va from proteolytic inactivation by activated protein C. Thromb Haemost. 2009 Jan;101(1):55-61. [PubMed:19132189 ]
Chang JY, Alkan SS, Hilschmann N, Braun DG: Thrombin specificity. Selective cleavage of antibody light chains at the joints of variable with joining regions and joining with constant regions. Eur J Biochem. 1985 Sep 2;151(2):225-30. [PubMed:3928376 ]

Showing metabocard for Prolyl-Arginine (HMDB0029011)

MOL for HMDB0029011 (Prolyl-Arginine)

3D MOL for HMDB0029011 (Prolyl-Arginine)

3D SDF for HMDB0029011 (Prolyl-Arginine)

3D-SDF for HMDB0029011 (Prolyl-Arginine)

PDB for HMDB0029011 (Prolyl-Arginine)

3D PDB for HMDB0029011 (Prolyl-Arginine)

SMILES for HMDB0029011 (Prolyl-Arginine)

INCHI for HMDB0029011 (Prolyl-Arginine)

Structure for HMDB0029011 (Prolyl-Arginine)

3D Structure for HMDB0029011 (Prolyl-Arginine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra