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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-06 21:02:13 UTC

Update Date

2021-09-14 15:37:09 UTC

HMDB ID

HMDB0028717

Secondary Accession Numbers

HMDB28717

Metabolite Identification

Common Name

Arginylproline

Description

Arginylproline, also known as R-p dipeptide or arginine-proline, 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. Arginylproline 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 arginylproline a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Arginylproline.

Structure

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

HMDB0028717
     RDKit          3D
Arginylproline
 40 40  0  0  0  0  0  0  0  0999 V2000
    5.2488    0.7934   -0.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2928   -0.3729    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5952   -0.9268    0.4187 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1164   -1.0961    0.5196 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8904   -0.4127    0.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2482    0.2670   -0.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765    0.9856   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324    0.1196    0.5272 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4435   -0.9058   -0.4364 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3294    0.9316    0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1768    2.0043    1.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6007    0.5662    0.2944 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7591    1.4653    0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7945    0.4439    0.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5237   -0.7545    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979   -0.5776   -0.3833 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9900   -0.4867   -1.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172   -1.4699   -2.5203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4592    0.5928   -2.5222 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237    1.2910   -0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3796   -0.8530   -0.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7336   -1.4275    1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2126   -2.1425    0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -1.1506    1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1735    0.3278    1.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9949   -0.5223   -1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9637    0.9356   -0.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1852    1.7790    0.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013    1.4972   -0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1176   -0.3109    1.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1413   -1.8618   -0.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971   -0.5959   -1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5066    2.1136    1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0417    1.9843   -0.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7850    0.8888    0.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6036    0.1384    1.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1631   -0.7091   -0.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7042   -1.7128    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5493   -1.5054   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964    0.9226   -3.4368 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
  8 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
 16 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  1
  9 31  1  0
  9 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  1
 19 40  1  0
M  END

  Mrv1652304062013242D          

 19 19  0  0  0  0            999 V2000
 2501.4841 2500.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.7691 2500.8449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2500.0480 2500.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.3331 2500.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.6120 2500.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.8971 2500.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2497.1762 2500.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.1762 2499.6446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2496.4305 2500.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.7691 2501.6704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1990 2500.8449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.8544 2499.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.5694 2499.1018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.8544 2500.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4668 2499.5959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.7994 2499.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.0543 2498.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.8793 2498.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1342 2499.1109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  6  0  0  0
  3  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  2  0  0  0  0
  7  9  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 19 12  1  6  0  0  0
  1 15  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028717

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H21N5O3/c12-7(3-1-5-15-11(13)14)9(17)16-6-2-4-8(16)10(18)19/h7-8H,1-6,12H2,(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1

> <INCHI_KEY>
LQJAALCCPOTJGB-YUMQZZPRSA-N

> <FORMULA>
C11H21N5O3

> <MOLECULAR_WEIGHT>
271.321

> <EXACT_MASS>
271.164439556

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
28.160391765455046

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid

> <ALOGPS_LOGP>
-3.47

> <JCHEM_LOGP>
-3.406769860895888

> <ALOGPS_LOGS>
-2.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.638127933022666

> <JCHEM_PKA_STRONGEST_BASIC>
12.023995730958779

> <JCHEM_POLAR_SURFACE_AREA>
145.53000000000003

> <JCHEM_REFRACTIVITY>
78.9096

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.09e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028717
     RDKit          3D
Arginylproline
 40 40  0  0  0  0  0  0  0  0999 V2000
    5.2488    0.7934   -0.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2928   -0.3729    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5952   -0.9268    0.4187 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1164   -1.0961    0.5196 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8904   -0.4127    0.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2482    0.2670   -0.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765    0.9856   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324    0.1196    0.5272 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4435   -0.9058   -0.4364 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3294    0.9316    0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1768    2.0043    1.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6007    0.5662    0.2944 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7591    1.4653    0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7945    0.4439    0.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5237   -0.7545    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979   -0.5776   -0.3833 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9900   -0.4867   -1.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172   -1.4699   -2.5203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4592    0.5928   -2.5222 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237    1.2910   -0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3796   -0.8530   -0.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7336   -1.4275    1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2126   -2.1425    0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -1.1506    1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1735    0.3278    1.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9949   -0.5223   -1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9637    0.9356   -0.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1852    1.7790    0.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013    1.4972   -0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1176   -0.3109    1.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1413   -1.8618   -0.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971   -0.5959   -1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5066    2.1136    1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0417    1.9843   -0.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7850    0.8888    0.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6036    0.1384    1.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1631   -0.7091   -0.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7042   -1.7128    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5493   -1.5054   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964    0.9226   -3.4368 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
  8 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
 16 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  1
  9 31  1  0
  9 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  1
 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  C   UNK     0    4669.4374667.475   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    4668.1024668.244   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    4666.7564667.498   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    4665.4224668.267   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    4664.0764667.521   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0    4662.7414668.290   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0    4661.3964667.544   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0    4661.3964666.003   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0    4660.0044668.347   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0    4668.1024669.785   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0    4670.7714668.244   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    4671.9954665.762   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0    4673.3304664.990   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    4671.9954667.303   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0    4669.4054665.912   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0    4668.1594665.007   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    4668.6354663.542   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    4670.1754663.542   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    4670.6514665.007   0.000  0.00  0.00           C+0
CONECT    1    2   11   15                                                  
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    2                                                            
CONECT   11    1                                                            
CONECT   12   13   14   19                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   16   19    1                                                  
CONECT   16   17   15                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   15   12                                                  
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

COMPND    HMDB0028717
HETATM    1  N1  UNL     1       5.249   0.793  -0.366  1.00  0.00           N  
HETATM    2  C1  UNL     1       5.293  -0.373   0.173  1.00  0.00           C  
HETATM    3  N2  UNL     1       6.595  -0.927   0.419  1.00  0.00           N  
HETATM    4  N3  UNL     1       4.116  -1.096   0.520  1.00  0.00           N  
HETATM    5  C2  UNL     1       2.890  -0.413   0.839  1.00  0.00           C  
HETATM    6  C3  UNL     1       2.248   0.267  -0.295  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.977   0.986  -0.006  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.132   0.120   0.527  1.00  0.00           C  
HETATM    9  N4  UNL     1      -0.443  -0.906  -0.436  1.00  0.00           N  
HETATM   10  C6  UNL     1      -1.329   0.932   0.751  1.00  0.00           C  
HETATM   11  O1  UNL     1      -1.177   2.004   1.385  1.00  0.00           O  
HETATM   12  N5  UNL     1      -2.601   0.566   0.294  1.00  0.00           N  
HETATM   13  C7  UNL     1      -3.759   1.465   0.498  1.00  0.00           C  
HETATM   14  C8  UNL     1      -4.794   0.444   0.938  1.00  0.00           C  
HETATM   15  C9  UNL     1      -4.524  -0.754   0.069  1.00  0.00           C  
HETATM   16  C10 UNL     1      -3.098  -0.578  -0.383  1.00  0.00           C  
HETATM   17  C11 UNL     1      -2.990  -0.487  -1.861  1.00  0.00           C  
HETATM   18  O2  UNL     1      -3.417  -1.470  -2.520  1.00  0.00           O  
HETATM   19  O3  UNL     1      -2.459   0.593  -2.522  1.00  0.00           O  
HETATM   20  H1  UNL     1       6.124   1.291  -0.603  1.00  0.00           H  
HETATM   21  H2  UNL     1       7.380  -0.853  -0.240  1.00  0.00           H  
HETATM   22  H3  UNL     1       6.734  -1.427   1.320  1.00  0.00           H  
HETATM   23  H4  UNL     1       4.213  -2.142   0.524  1.00  0.00           H  
HETATM   24  H5  UNL     1       2.259  -1.151   1.370  1.00  0.00           H  
HETATM   25  H6  UNL     1       3.173   0.328   1.650  1.00  0.00           H  
HETATM   26  H7  UNL     1       1.995  -0.522  -1.065  1.00  0.00           H  
HETATM   27  H8  UNL     1       2.964   0.936  -0.805  1.00  0.00           H  
HETATM   28  H9  UNL     1       1.185   1.779   0.741  1.00  0.00           H  
HETATM   29  H10 UNL     1       0.601   1.497  -0.914  1.00  0.00           H  
HETATM   30  H11 UNL     1       0.118  -0.311   1.530  1.00  0.00           H  
HETATM   31  H12 UNL     1      -0.141  -1.862  -0.161  1.00  0.00           H  
HETATM   32  H13 UNL     1      -0.097  -0.596  -1.367  1.00  0.00           H  
HETATM   33  H14 UNL     1      -3.507   2.114   1.353  1.00  0.00           H  
HETATM   34  H15 UNL     1      -4.042   1.984  -0.417  1.00  0.00           H  
HETATM   35  H16 UNL     1      -5.785   0.889   0.784  1.00  0.00           H  
HETATM   36  H17 UNL     1      -4.604   0.138   1.987  1.00  0.00           H  
HETATM   37  H18 UNL     1      -5.163  -0.709  -0.864  1.00  0.00           H  
HETATM   38  H19 UNL     1      -4.704  -1.713   0.603  1.00  0.00           H  
HETATM   39  H20 UNL     1      -2.549  -1.505  -0.012  1.00  0.00           H  
HETATM   40  H21 UNL     1      -2.796   0.923  -3.437  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   10   30
CONECT    9   31   32
CONECT   10   11   11   12
CONECT   12   13   16
CONECT   13   14   33   34
CONECT   14   15   35   36
CONECT   15   16   37   38
CONECT   16   17   39
CONECT   17   18   18   19
CONECT   19   40
END

HMDB0028717
     RDKit          3D
Arginylproline
 40 40  0  0  0  0  0  0  0  0999 V2000
    5.2488    0.7934   -0.3660 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2928   -0.3729    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5952   -0.9268    0.4187 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1164   -1.0961    0.5196 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8904   -0.4127    0.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2482    0.2670   -0.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765    0.9856   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324    0.1196    0.5272 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4435   -0.9058   -0.4364 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3294    0.9316    0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1768    2.0043    1.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6007    0.5662    0.2944 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7591    1.4653    0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7945    0.4439    0.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5237   -0.7545    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979   -0.5776   -0.3833 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9900   -0.4867   -1.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172   -1.4699   -2.5203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4592    0.5928   -2.5222 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237    1.2910   -0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3796   -0.8530   -0.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7336   -1.4275    1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2126   -2.1425    0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588   -1.1506    1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1735    0.3278    1.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9949   -0.5223   -1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9637    0.9356   -0.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1852    1.7790    0.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013    1.4972   -0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1176   -0.3109    1.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1413   -1.8618   -0.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971   -0.5959   -1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5066    2.1136    1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0417    1.9843   -0.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7850    0.8888    0.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6036    0.1384    1.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1631   -0.7091   -0.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7042   -1.7128    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5493   -1.5054   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964    0.9226   -3.4368 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
  8 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
 16 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  1
  9 31  1  0
  9 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  1
 19 40  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2S)-1-[(2S)-2-Amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid	ChEBI
Arginine proline dipeptide	ChEBI
Arginine-proline	ChEBI
Arginine-proline dipeptide	ChEBI
R-p Dipeptide	ChEBI
RP	ChEBI
RP Dipeptide	ChEBI
(2S)-1-[(2S)-2-Amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylate	Generator
Arg-pro	HMDB
Arginylproline diacetate, (L)-isomer	HMDB
1-2-Substance p	HMDB
1-Arginylproline	HMDB
1-L-Arginyl-L-proline	HMDB
Arginyl-proline	HMDB
L-Arg-L-pro	HMDB
L-Arginyl-L-proline	HMDB
Substance P1-2	HMDB
Arginylproline	MeSH, ChEBI

Chemical Formula

C₁₁H₂₁N₅O₃

Average Molecular Weight

271.321

Monoisotopic Molecular Weight

271.164439556

IUPAC Name

(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid

Traditional Name

(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid

CAS Registry Number

2418-69-1

SMILES

N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O

InChI Identifier

InChI=1S/C11H21N5O3/c12-7(3-1-5-15-11(13)14)9(17)16-6-2-4-8(16)10(18)19/h7-8H,1-6,12H2,(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1

InChI Key

LQJAALCCPOTJGB-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
N-acyl-alpha amino acid or derivatives
Proline or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
N-acylpyrrolidine
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine
Tertiary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Guanidine
Amino acid
Azacycle
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Organic 1,3-dipolar compound
Organoheterocyclic compound
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organopnictogen compound
Organic oxide
Primary aliphatic amine
Organic oxygen compound
Amine
Organic nitrogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Primary amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Feces (PMID: 26505825)

Source

Endogenous

Endogenous (HMDB: HMDB0028717)

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

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-3.25	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.09 g/L	ALOGPS
logP	-3.5	ALOGPS
logP	-3.4	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	3.64	ChemAxon
pKa (Strongest Basic)	12.02	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	145.53 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	78.91 m³·mol⁻¹	ChemAxon
Polarizability	28.16 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	165.805	30932474
DeepCCS	[M-H]-	163.447	30932474
DeepCCS	[M-2H]-	196.333	30932474
DeepCCS	[M+Na]+	171.898	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Arginylproline	N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O	3356.7	Standard polar	33892256
Arginylproline	N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O	2549.8	Standard non polar	33892256
Arginylproline	N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O	2966.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Arginylproline,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N	2762.7	Semi standard non polar	33892256
Arginylproline,1TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O	2857.8	Semi standard non polar	33892256
Arginylproline,1TMS,isomer #3	C[Si](C)(C)NC(=N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O	2913.8	Semi standard non polar	33892256
Arginylproline,1TMS,isomer #4	C[Si](C)(C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)C(=N)N	2848.3	Semi standard non polar	33892256
Arginylproline,1TMS,isomer #5	C[Si](C)(C)N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O	2768.0	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2806.1	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2479.4	Standard non polar	33892256
Arginylproline,2TMS,isomer #10	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)N[Si](C)(C)C	2815.6	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #10	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)N[Si](C)(C)C	2533.8	Standard non polar	33892256
Arginylproline,2TMS,isomer #11	C[Si](C)(C)NC(=N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2872.0	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #11	C[Si](C)(C)NC(=N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2708.0	Standard non polar	33892256
Arginylproline,2TMS,isomer #12	C[Si](C)(C)N=C(N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2753.2	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #12	C[Si](C)(C)N=C(N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2576.6	Standard non polar	33892256
Arginylproline,2TMS,isomer #2	C[Si](C)(C)NC(=N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2852.7	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #2	C[Si](C)(C)NC(=N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2562.7	Standard non polar	33892256
Arginylproline,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C	2762.7	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C	2524.0	Standard non polar	33892256
Arginylproline,2TMS,isomer #4	C[Si](C)(C)N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2689.2	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #4	C[Si](C)(C)N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2470.1	Standard non polar	33892256
Arginylproline,2TMS,isomer #5	C[Si](C)(C)NC(=N)NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	2959.9	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #5	C[Si](C)(C)NC(=N)NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	2617.5	Standard non polar	33892256
Arginylproline,2TMS,isomer #6	C[Si](C)(C)N([C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2919.7	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #6	C[Si](C)(C)N([C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2556.3	Standard non polar	33892256
Arginylproline,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	2851.5	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	2619.7	Standard non polar	33892256
Arginylproline,2TMS,isomer #8	C[Si](C)(C)N=C(N)NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	2753.4	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #8	C[Si](C)(C)N=C(N)NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	2540.7	Standard non polar	33892256
Arginylproline,2TMS,isomer #9	C[Si](C)(C)N(C(=N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2924.8	Semi standard non polar	33892256
Arginylproline,2TMS,isomer #9	C[Si](C)(C)N(C(=N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2724.7	Standard non polar	33892256
Arginylproline,3TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2924.0	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2611.7	Standard non polar	33892256
Arginylproline,3TMS,isomer #10	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)N[Si](C)(C)C	2851.8	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #10	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)N[Si](C)(C)C	2558.4	Standard non polar	33892256
Arginylproline,3TMS,isomer #11	C[Si](C)(C)NC(=N)N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2907.3	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #11	C[Si](C)(C)NC(=N)N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2727.9	Standard non polar	33892256
Arginylproline,3TMS,isomer #12	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3033.4	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #12	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2702.4	Standard non polar	33892256
Arginylproline,3TMS,isomer #13	C[Si](C)(C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	2925.4	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #13	C[Si](C)(C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	2693.1	Standard non polar	33892256
Arginylproline,3TMS,isomer #14	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2834.4	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #14	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2621.3	Standard non polar	33892256
Arginylproline,3TMS,isomer #15	C[Si](C)(C)N=C(N)N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2775.8	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #15	C[Si](C)(C)N=C(N)N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2573.3	Standard non polar	33892256
Arginylproline,3TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2830.3	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2629.0	Standard non polar	33892256
Arginylproline,3TMS,isomer #17	C[Si](C)(C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2887.9	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #17	C[Si](C)(C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2858.2	Standard non polar	33892256
Arginylproline,3TMS,isomer #18	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2803.5	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #18	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2574.5	Standard non polar	33892256
Arginylproline,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C)[Si](C)(C)C	2901.1	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C)[Si](C)(C)C	2571.9	Standard non polar	33892256
Arginylproline,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2792.5	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2579.5	Standard non polar	33892256
Arginylproline,3TMS,isomer #4	C[Si](C)(C)N=C(N)NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2714.6	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #4	C[Si](C)(C)N=C(N)NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2507.3	Standard non polar	33892256
Arginylproline,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C	2889.0	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C	2708.0	Standard non polar	33892256
Arginylproline,3TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2774.4	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2463.9	Standard non polar	33892256
Arginylproline,3TMS,isomer #7	C[Si](C)(C)NC(=N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C	2827.9	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #7	C[Si](C)(C)NC(=N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C	2643.9	Standard non polar	33892256
Arginylproline,3TMS,isomer #8	C[Si](C)(C)N=C(N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C	2719.1	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #8	C[Si](C)(C)N=C(N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C	2487.5	Standard non polar	33892256
Arginylproline,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	2960.5	Semi standard non polar	33892256
Arginylproline,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	2760.7	Standard non polar	33892256
Arginylproline,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2907.6	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2741.1	Standard non polar	33892256
Arginylproline,4TMS,isomer #10	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C	2782.0	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #10	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C	2499.3	Standard non polar	33892256
Arginylproline,4TMS,isomer #11	C[Si](C)(C)N(C(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3045.1	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #11	C[Si](C)(C)N(C(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2853.4	Standard non polar	33892256
Arginylproline,4TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	2890.5	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	2883.8	Standard non polar	33892256
Arginylproline,4TMS,isomer #13	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2833.8	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #13	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2647.8	Standard non polar	33892256
Arginylproline,4TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2824.4	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C	2600.7	Standard non polar	33892256
Arginylproline,4TMS,isomer #15	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	2942.3	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #15	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	2595.4	Standard non polar	33892256
Arginylproline,4TMS,isomer #16	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2997.8	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #16	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2802.9	Standard non polar	33892256
Arginylproline,4TMS,isomer #17	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2888.8	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #17	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2640.6	Standard non polar	33892256
Arginylproline,4TMS,isomer #18	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2824.0	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #18	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2712.9	Standard non polar	33892256
Arginylproline,4TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2810.8	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2487.3	Standard non polar	33892256
Arginylproline,4TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C	2870.0	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C	2679.6	Standard non polar	33892256
Arginylproline,4TMS,isomer #4	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3025.9	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #4	C[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2680.5	Standard non polar	33892256
Arginylproline,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2923.1	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2662.8	Standard non polar	33892256
Arginylproline,4TMS,isomer #6	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2824.9	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #6	C[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2583.2	Standard non polar	33892256
Arginylproline,4TMS,isomer #7	C[Si](C)(C)N=C(N)N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C	2747.7	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #7	C[Si](C)(C)N=C(N)N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C	2510.2	Standard non polar	33892256
Arginylproline,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2840.0	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2797.1	Standard non polar	33892256
Arginylproline,4TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2801.3	Semi standard non polar	33892256
Arginylproline,4TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2532.4	Standard non polar	33892256
Arginylproline,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3050.9	Semi standard non polar	33892256
Arginylproline,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2806.1	Standard non polar	33892256
Arginylproline,5TMS,isomer #10	C[Si](C)(C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3057.4	Semi standard non polar	33892256
Arginylproline,5TMS,isomer #10	C[Si](C)(C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2961.8	Standard non polar	33892256
Arginylproline,5TMS,isomer #11	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2837.8	Semi standard non polar	33892256
Arginylproline,5TMS,isomer #11	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2767.7	Standard non polar	33892256
Arginylproline,5TMS,isomer #12	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2959.4	Semi standard non polar	33892256
Arginylproline,5TMS,isomer #12	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2665.5	Standard non polar	33892256
Arginylproline,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2879.2	Semi standard non polar	33892256
Arginylproline,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C	2820.7	Standard non polar	33892256
Arginylproline,5TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2820.1	Semi standard non polar	33892256
Arginylproline,5TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2571.5	Standard non polar	33892256
Arginylproline,5TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C	2816.3	Semi standard non polar	33892256
Arginylproline,5TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C	2545.5	Standard non polar	33892256
Arginylproline,5TMS,isomer #5	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	2950.9	Semi standard non polar	33892256
Arginylproline,5TMS,isomer #5	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	2550.5	Standard non polar	33892256
Arginylproline,5TMS,isomer #6	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2997.4	Semi standard non polar	33892256
Arginylproline,5TMS,isomer #6	C[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2757.5	Standard non polar	33892256
Arginylproline,5TMS,isomer #7	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2922.9	Semi standard non polar	33892256
Arginylproline,5TMS,isomer #7	C[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2596.5	Standard non polar	33892256
Arginylproline,5TMS,isomer #8	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2817.9	Semi standard non polar	33892256
Arginylproline,5TMS,isomer #8	C[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2668.0	Standard non polar	33892256
Arginylproline,5TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2989.5	Semi standard non polar	33892256
Arginylproline,5TMS,isomer #9	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2693.2	Standard non polar	33892256
Arginylproline,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=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	3088.2	Semi standard non polar	33892256
Arginylproline,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=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	2897.4	Standard non polar	33892256
Arginylproline,6TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3006.7	Semi standard non polar	33892256
Arginylproline,6TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2642.6	Standard non polar	33892256
Arginylproline,6TMS,isomer #3	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2847.8	Semi standard non polar	33892256
Arginylproline,6TMS,isomer #3	C[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2731.7	Standard non polar	33892256
Arginylproline,6TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2990.2	Semi standard non polar	33892256
Arginylproline,6TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2634.1	Standard non polar	33892256
Arginylproline,6TMS,isomer #5	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3037.9	Semi standard non polar	33892256
Arginylproline,6TMS,isomer #5	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2842.3	Standard non polar	33892256
Arginylproline,7TMS,isomer #1	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[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	3085.6	Semi standard non polar	33892256
Arginylproline,7TMS,isomer #1	C[Si](C)(C)N=C(N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[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	2813.1	Standard non polar	33892256
Arginylproline,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N	3031.6	Semi standard non polar	33892256
Arginylproline,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O	3110.1	Semi standard non polar	33892256
Arginylproline,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O	3160.3	Semi standard non polar	33892256
Arginylproline,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)C(=N)N	3045.7	Semi standard non polar	33892256
Arginylproline,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O	3022.5	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	3289.2	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2871.7	Standard non polar	33892256
Arginylproline,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)N[Si](C)(C)C(C)(C)C	3299.3	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)N[Si](C)(C)C(C)(C)C	2858.9	Standard non polar	33892256
Arginylproline,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3332.7	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3058.4	Standard non polar	33892256
Arginylproline,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3235.1	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	2907.5	Standard non polar	33892256
Arginylproline,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	3365.9	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2922.9	Standard non polar	33892256
Arginylproline,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C(C)(C)C	3237.9	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN(C(=N)N)[Si](C)(C)C(C)(C)C	2918.6	Standard non polar	33892256
Arginylproline,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	3169.0	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2834.9	Standard non polar	33892256
Arginylproline,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	3441.5	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	2980.6	Standard non polar	33892256
Arginylproline,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N([C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3325.1	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N([C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	2953.1	Standard non polar	33892256
Arginylproline,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	3307.0	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	3002.2	Standard non polar	33892256
Arginylproline,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	3230.8	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	2894.6	Standard non polar	33892256
Arginylproline,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3333.3	Semi standard non polar	33892256
Arginylproline,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3082.0	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	3624.7	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	3102.6	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)N[Si](C)(C)C(C)(C)C	3534.2	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)N[Si](C)(C)C(C)(C)C	2995.5	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3603.3	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3233.7	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3657.1	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3206.8	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	3561.3	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	3232.9	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3482.7	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3128.1	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3465.1	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3057.6	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3471.2	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3100.8	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3494.8	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3372.4	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3457.8	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3028.3	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3513.2	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3100.9	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	3479.4	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	3116.0	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	3379.1	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2994.8	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3499.5	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3204.3	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3453.6	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2936.2	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3518.8	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3159.4	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3397.5	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2988.2	Standard non polar	33892256
Arginylproline,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	3588.6	Semi standard non polar	33892256
Arginylproline,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	3274.0	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	3746.8	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	3365.2	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3618.8	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3111.2	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3839.8	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3469.7	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	3753.2	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O	3531.7	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3702.8	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3252.0	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3688.6	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C	3181.4	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3785.5	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3195.7	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3849.1	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3432.6	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3736.4	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3261.9	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3665.6	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3351.0	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3665.1	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3075.5	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3755.3	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3310.7	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3843.2	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3294.1	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=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	3754.2	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=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	3319.6	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3648.2	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3199.2	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3621.8	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3131.2	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=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	3683.4	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=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	3440.6	Standard non polar	33892256
Arginylproline,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3611.1	Semi standard non polar	33892256
Arginylproline,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3173.3	Standard non polar	33892256
Arginylproline,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=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	4021.6	Semi standard non polar	33892256
Arginylproline,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1CCCN1C(=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	3553.3	Standard non polar	33892256
Arginylproline,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([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	4067.8	Semi standard non polar	33892256
Arginylproline,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([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	3715.3	Standard non polar	33892256
Arginylproline,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3908.2	Semi standard non polar	33892256
Arginylproline,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3527.1	Standard non polar	33892256
Arginylproline,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4002.4	Semi standard non polar	33892256
Arginylproline,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3388.9	Standard non polar	33892256
Arginylproline,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	3943.9	Semi standard non polar	33892256
Arginylproline,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	3582.5	Standard non polar	33892256
Arginylproline,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3834.7	Semi standard non polar	33892256
Arginylproline,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3326.9	Standard non polar	33892256
Arginylproline,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3829.0	Semi standard non polar	33892256
Arginylproline,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3275.1	Standard non polar	33892256
Arginylproline,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[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	3955.8	Semi standard non polar	33892256
Arginylproline,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[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	3296.5	Standard non polar	33892256
Arginylproline,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4044.7	Semi standard non polar	33892256
Arginylproline,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3517.0	Standard non polar	33892256
Arginylproline,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3956.4	Semi standard non polar	33892256
Arginylproline,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3351.2	Standard non polar	33892256
Arginylproline,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=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	3847.7	Semi standard non polar	33892256
Arginylproline,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N)C(=O)N1CCC[C@H]1C(=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	3441.2	Standard non polar	33892256
Arginylproline,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4007.6	Semi standard non polar	33892256
Arginylproline,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3439.1	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Arginylproline 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 - Arginylproline 10V, Positive-QTOF	splash10-0fmi-1290000000-16f375627c90c94ab003	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylproline 20V, Positive-QTOF	splash10-03fr-8960000000-9767d204ef307e7883f7	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylproline 40V, Positive-QTOF	splash10-03di-9100000000-51f883b00f58f5443269	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylproline 10V, Negative-QTOF	splash10-00b9-1190000000-ed02237aa39b63fd976f	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylproline 20V, Negative-QTOF	splash10-0bw9-7790000000-457b2c891813a63d39d6	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylproline 40V, Negative-QTOF	splash10-052f-9200000000-08018a2d28b8baf5f100	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylproline 10V, Positive-QTOF	splash10-00di-0090000000-11f369bfe63bd6316a65	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylproline 20V, Positive-QTOF	splash10-07or-3690000000-19d5da0556c2b13ef1f5	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylproline 40V, Positive-QTOF	splash10-00di-9100000000-d02e22b5208f2a6be85d	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylproline 10V, Negative-QTOF	splash10-00di-0090000000-900afc2c12c507d15e3b	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylproline 20V, Negative-QTOF	splash10-01ox-6890000000-593ba2dcb320ec160f1c	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Arginylproline 40V, Negative-QTOF	splash10-03dl-9500000000-7c966d4ca798931f7add	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)	Not Specified	obese	26505825	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details

Associated Disorders and Diseases

Disease References

Obesity
Haro C, Montes-Borrego M, Rangel-Zuniga OA, Alcala-Diaz JF, Gomez-Delgado F, Perez-Martinez P, Delgado-Lista J, Quintana-Navarro GM, Tinahones FJ, Landa BB, Lopez-Miranda J, Camargo A, Perez-Jimenez F: Two Healthy Diets Modulate Gut Microbial Community Improving Insulin Sensitivity in a Human Obese Population. J Clin Endocrinol Metab. 2016 Jan;101(1):233-42. doi: 10.1210/jc.2015-3351. Epub 2015 Oct 27. [PubMed:26505825 ]
Colorectal cancer
Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]

Associated OMIM IDs

601665 (Obesity)
114500 (Colorectal cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111774

KNApSAcK ID

Not Available

Chemspider ID

133095

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

151003

PDB ID

Not Available

ChEBI ID

141419

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

Bisof V, Salihovic MP, Narancic NS, Skaric-Juric T, Jakic-Razumovic J, Janicijevic B, Turek S, Rudan P: TP53 gene polymorphisms and breast cancer in Croatian women: a pilot study. Eur J Gynaecol Oncol. 2010;31(5):539-44. [PubMed:21061796 ]
Nadji SA, Mahmoodi M, Ziaee AA, Naghshvar F, Torabizadeh J, Yahyapour Y, Nategh R, Mokhtari-Azad T: An increased lung cancer risk associated with codon 72 polymorphism in the TP53 gene and human papillomavirus infection in Mazandaran province, Iran. Lung Cancer. 2007 May;56(2):145-51. Epub 2007 Jan 8. [PubMed:17208332 ]
Hamajima N, Matsuo K, Suzuki T, Nakamura T, Matsuura A, Hatooka S, Shinoda M, Kodera Y, Yamamura Y, Hirai T, Kato T, Tajima K: No associations of p73 G4C14-to-A4T14 at exon 2 and p53 Arg72Pro polymorphisms with the risk of digestive tract cancers in Japanese. Cancer Lett. 2002 Jul 8;181(1):81-5. [PubMed:12430182 ]
Havranek O, Spacek M, Hubacek P, Mocikova H, Benesova K, Soucek P, Trneny M, Kleibl Z: No association between the TP53 codon 72 polymorphism and risk or prognosis of Hodgkin and non-Hodgkin lymphoma. Leuk Res. 2011 Aug;35(8):1117-9. doi: 10.1016/j.leukres.2011.04.001. Epub 2011 May 5. [PubMed:21546086 ]
Lacha J, Hubacek JA, Potmesil P, Viklicky O, Malek I, Vitko S: TGF-beta I gene polymorphism in heart transplant recipients--effect on renal function. Ann Transplant. 2001;6(1):39-43. [PubMed:11803605 ]
Mitchell WM: Hydrolysis at arginylproline in polypeptides by clostridiopeptidase B. Science. 1968 Oct 18;162(3851):374-5. [PubMed:5677534 ]
Irarrazabal CE, Rojas C, Aracena R, Marquez C, Gil L: Chilean pilot study on the risk of lung cancer associated with codon 72 polymorphism in the gene of protein p53. Toxicol Lett. 2003 Sep 15;144(1):69-76. [PubMed:12919725 ]
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 ]

Showing metabocard for Arginylproline (HMDB0028717)

MOL for HMDB0028717 (Arginylproline)

3D MOL for HMDB0028717 (Arginylproline)

3D SDF for HMDB0028717 (Arginylproline)

3D-SDF for HMDB0028717 (Arginylproline)

PDB for HMDB0028717 (Arginylproline)

3D PDB for HMDB0028717 (Arginylproline)

SMILES for HMDB0028717 (Arginylproline)

INCHI for HMDB0028717 (Arginylproline)

Structure for HMDB0028717 (Arginylproline)

3D Structure for HMDB0028717 (Arginylproline)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra