Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 07:11:34 UTC

Update Date

2021-09-26 23:01:33 UTC

HMDB ID

HMDB0250211

Secondary Accession Numbers

None

Metabolite Identification

Common Name

5-Oxo-prolyl-glycyl-arginine-4-nitroanilide

Description

5-Oxo-prolyl-glycyl-arginine-4-nitroanilide belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on 5-Oxo-prolyl-glycyl-arginine-4-nitroanilide. This compound has been identified in human blood as reported by (PMID: 31557052 ). 5-oxo-prolyl-glycyl-arginine-4-nitroanilide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 5-Oxo-prolyl-glycyl-arginine-4-nitroanilide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

  Mrv1652309112109112D          

 33 34  0  0  0  0            999 V2000
    2.3394   -4.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1678   -3.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8823   -3.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9686   -2.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4954   -3.8944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -6.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -6.7914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -4.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -3.9336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -8.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -7.5059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -9.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -9.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599  -10.3638    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.5849  -10.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474  -11.0783    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  CHG  2  31   1  33  -1
M  END

HMDB0250211
     RDKit          3D
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide
 59 60  0  0  0  0  0  0  0  0999 V2000
    2.8447    6.2104   -0.7025 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2092    5.0609    0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4878    4.4700   -0.1569 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    4.5778    0.9739 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7025    3.4713    1.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    2.2540    1.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120    1.7808    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840    0.5976   -0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0531    0.3885   -0.3933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.2659    0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0943    0.3505    1.6802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273    0.0370   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6984   -0.1831    0.3106 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7392   -0.1612   -0.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3220    0.0034   -1.9086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1014   -0.2912   -0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0080   -1.4192   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3434   -0.8555    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1130    0.6039    0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9663    1.5355    0.2987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6900    0.8089    0.3667 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1838   -0.5993   -0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878   -0.6838   -1.7069 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2355   -1.6270    0.3408 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0041   -2.7856    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3772   -3.1682   -1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2052   -4.2692   -1.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6927   -5.0228   -0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5887   -6.1191   -0.6726 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.0587   -6.7305    0.2724 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8966   -6.4399   -1.9523 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.3359   -4.6702    0.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061   -3.5778    1.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    6.4653   -0.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028    6.7495   -1.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2229    4.5291    0.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6137    4.0071   -1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556    3.1354    1.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4813    3.7913    2.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130    2.6682    1.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9166    1.5476    2.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1353    1.5783   -0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847    2.6828   -0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3221    1.0368   -1.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3783    0.1832   -1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5166    0.9682   -0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2465   -0.7539   -1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0400   -0.3474    1.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5475    0.1670   -1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7238   -2.3142    0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2496   -1.7914   -1.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667   -1.0729   -0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5256   -1.2678    1.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1143    1.5001    0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7357   -1.5168    1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0268   -2.6559   -2.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4856   -4.5241   -2.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7005   -5.2491    1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384   -3.3293    2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  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  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
  8 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 28 32  1  0
 32 33  2  0
 21 16  1  0
 33 25  1  0
  1 34  1  0
  1 35  1  0
  3 36  1  0
  3 37  1  0
  5 38  1  0
  5 39  1  0
  6 40  1  0
  6 41  1  0
  7 42  1  0
  7 43  1  0
  8 44  1  0
  9 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 16 49  1  0
 17 50  1  0
 17 51  1  0
 18 52  1  0
 18 53  1  0
 21 54  1  0
 24 55  1  0
 26 56  1  0
 27 57  1  0
 32 58  1  0
 33 59  1  0
M  CHG  2  29   1  31  -1
M  END

  Mrv1652309112109112D          

 33 34  0  0  0  0            999 V2000
    2.3394   -4.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1678   -3.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8823   -3.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9686   -2.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4954   -3.8944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -6.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -6.7914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -4.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -3.9336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -8.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -7.5059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -9.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -9.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599  -10.3638    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.5849  -10.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474  -11.0783    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  CHG  2  31   1  33  -1
M  END
> <DATABASE_ID>
HMDB0250211

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H26N8O6/c20-19(21)22-9-1-2-13(18(31)24-11-3-5-12(6-4-11)27(32)33)26-16(29)10-23-17(30)14-7-8-15(28)25-14/h3-6,13-14H,1-2,7-10H2,(H,23,30)(H,24,31)(H,25,28)(H,26,29)(H4,20,21,22)

> <INCHI_KEY>
DGYWXYFLXYIOCP-UHFFFAOYSA-N

> <FORMULA>
C19H26N8O6

> <MOLECULAR_WEIGHT>
462.467

> <EXACT_MASS>
462.197530589

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
46.406256892686436

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-[(diaminomethylidene)amino]-N-(4-nitrophenyl)-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}pentanamide

> <ALOGPS_LOGP>
-0.67

> <JCHEM_LOGP>
-2.528854509298635

> <ALOGPS_LOGS>
-3.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
11.745012104497428

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.186078995616311

> <JCHEM_PKA_STRONGEST_BASIC>
10.646459347763761

> <JCHEM_POLAR_SURFACE_AREA>
223.94

> <JCHEM_REFRACTIVITY>
115.9195

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.60e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-[(diaminomethylidene)amino]-N-(4-nitrophenyl)-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}pentanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0250211
     RDKit          3D
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide
 59 60  0  0  0  0  0  0  0  0999 V2000
    2.8447    6.2104   -0.7025 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2092    5.0609    0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4878    4.4700   -0.1569 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    4.5778    0.9739 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7025    3.4713    1.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    2.2540    1.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120    1.7808    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840    0.5976   -0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0531    0.3885   -0.3933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.2659    0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0943    0.3505    1.6802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273    0.0370   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6984   -0.1831    0.3106 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7392   -0.1612   -0.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3220    0.0034   -1.9086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1014   -0.2912   -0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0080   -1.4192   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3434   -0.8555    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1130    0.6039    0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9663    1.5355    0.2987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6900    0.8089    0.3667 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1838   -0.5993   -0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878   -0.6838   -1.7069 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2355   -1.6270    0.3408 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0041   -2.7856    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3772   -3.1682   -1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2052   -4.2692   -1.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6927   -5.0228   -0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5887   -6.1191   -0.6726 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.0587   -6.7305    0.2724 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8966   -6.4399   -1.9523 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.3359   -4.6702    0.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061   -3.5778    1.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    6.4653   -0.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028    6.7495   -1.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2229    4.5291    0.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6137    4.0071   -1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556    3.1354    1.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4813    3.7913    2.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130    2.6682    1.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9166    1.5476    2.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1353    1.5783   -0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847    2.6828   -0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3221    1.0368   -1.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3783    0.1832   -1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5166    0.9682   -0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2465   -0.7539   -1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0400   -0.3474    1.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5475    0.1670   -1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7238   -2.3142    0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2496   -1.7914   -1.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667   -1.0729   -0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5256   -1.2678    1.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1143    1.5001    0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7357   -1.5168    1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0268   -2.6559   -2.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4856   -4.5241   -2.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7005   -5.2491    1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384   -3.3293    2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  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  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
  8 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 28 32  1  0
 32 33  2  0
 21 16  1  0
 33 25  1  0
  1 34  1  0
  1 35  1  0
  3 36  1  0
  3 37  1  0
  5 38  1  0
  5 39  1  0
  6 40  1  0
  6 41  1  0
  7 42  1  0
  7 43  1  0
  8 44  1  0
  9 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 16 49  1  0
 17 50  1  0
 17 51  1  0
 18 52  1  0
 18 53  1  0
 21 54  1  0
 24 55  1  0
 26 56  1  0
 27 57  1  0
 32 58  1  0
 33 59  1  0
M  CHG  2  29   1  31  -1
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       4.367  -8.515   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.047  -7.009   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.380  -6.239   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       5.541  -4.707   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0       6.525  -7.269   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       5.898  -8.676   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       5.898 -11.344   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0       8.208 -10.010   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       8.978 -11.344   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.518 -11.344   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      11.288 -10.010   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0      11.288 -12.677   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      12.828 -12.677   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.598 -11.344   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      15.138 -11.344   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.908 -10.010   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      17.448 -10.010   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      18.218  -8.676   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      19.758  -8.676   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0      17.448  -7.343   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      13.598 -14.011   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      12.828 -15.345   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0      15.138 -14.011   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      15.908 -15.345   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      17.448 -15.345   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      18.218 -16.678   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      17.448 -18.012   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      15.908 -18.012   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.138 -16.678   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      18.218 -19.346   0.000  0.00  0.00           N+1
HETATM   32  O   UNK     0      19.758 -19.346   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      17.448 -20.679   0.000  0.00  0.00           O-1
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   14   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29   25                                                       
CONECT   31   28   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   68    0
END

COMPND    HMDB0250211
HETATM    1  N1  UNL     1       2.845   6.210  -0.703  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.209   5.061   0.096  1.00  0.00           C  
HETATM    3  N2  UNL     1       4.488   4.470  -0.157  1.00  0.00           N  
HETATM    4  N3  UNL     1       2.445   4.578   0.974  1.00  0.00           N  
HETATM    5  C2  UNL     1       2.702   3.471   1.807  1.00  0.00           C  
HETATM    6  C3  UNL     1       1.800   2.254   1.507  1.00  0.00           C  
HETATM    7  C4  UNL     1       2.012   1.781   0.117  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.284   0.598  -0.343  1.00  0.00           C  
HETATM    9  N4  UNL     1      -0.053   0.389  -0.393  1.00  0.00           N  
HETATM   10  C6  UNL     1      -1.197   0.266   0.460  1.00  0.00           C  
HETATM   11  O1  UNL     1      -1.094   0.351   1.680  1.00  0.00           O  
HETATM   12  C7  UNL     1      -2.427   0.037  -0.257  1.00  0.00           C  
HETATM   13  N5  UNL     1      -3.698  -0.183   0.311  1.00  0.00           N  
HETATM   14  C8  UNL     1      -4.739  -0.161  -0.767  1.00  0.00           C  
HETATM   15  O2  UNL     1      -4.322   0.003  -1.909  1.00  0.00           O  
HETATM   16  C9  UNL     1      -6.101  -0.291  -0.450  1.00  0.00           C  
HETATM   17  C10 UNL     1      -7.008  -1.419  -0.350  1.00  0.00           C  
HETATM   18  C11 UNL     1      -8.343  -0.855   0.110  1.00  0.00           C  
HETATM   19  C12 UNL     1      -8.113   0.604   0.265  1.00  0.00           C  
HETATM   20  O3  UNL     1      -8.966   1.536   0.299  1.00  0.00           O  
HETATM   21  N6  UNL     1      -6.690   0.809   0.367  1.00  0.00           N  
HETATM   22  C13 UNL     1       2.184  -0.599  -0.690  1.00  0.00           C  
HETATM   23  O4  UNL     1       2.788  -0.684  -1.707  1.00  0.00           O  
HETATM   24  N7  UNL     1       2.236  -1.627   0.341  1.00  0.00           N  
HETATM   25  C14 UNL     1       3.004  -2.786   0.047  1.00  0.00           C  
HETATM   26  C15 UNL     1       3.377  -3.168  -1.222  1.00  0.00           C  
HETATM   27  C16 UNL     1       4.205  -4.269  -1.453  1.00  0.00           C  
HETATM   28  C17 UNL     1       4.693  -5.023  -0.415  1.00  0.00           C  
HETATM   29  N8  UNL     1       5.589  -6.119  -0.673  1.00  0.00           N1+
HETATM   30  O5  UNL     1       6.059  -6.731   0.272  1.00  0.00           O  
HETATM   31  O6  UNL     1       5.897  -6.440  -1.952  1.00  0.00           O1-
HETATM   32  C18 UNL     1       4.336  -4.670   0.857  1.00  0.00           C  
HETATM   33  C19 UNL     1       3.506  -3.578   1.107  1.00  0.00           C  
HETATM   34  H1  UNL     1       1.869   6.465  -0.803  1.00  0.00           H  
HETATM   35  H2  UNL     1       3.603   6.750  -1.156  1.00  0.00           H  
HETATM   36  H3  UNL     1       5.223   4.529   0.542  1.00  0.00           H  
HETATM   37  H4  UNL     1       4.614   4.007  -1.079  1.00  0.00           H  
HETATM   38  H5  UNL     1       3.756   3.135   1.810  1.00  0.00           H  
HETATM   39  H6  UNL     1       2.481   3.791   2.866  1.00  0.00           H  
HETATM   40  H7  UNL     1       0.713   2.668   1.598  1.00  0.00           H  
HETATM   41  H8  UNL     1       1.917   1.548   2.322  1.00  0.00           H  
HETATM   42  H9  UNL     1       3.135   1.578  -0.024  1.00  0.00           H  
HETATM   43  H10 UNL     1       1.785   2.683  -0.579  1.00  0.00           H  
HETATM   44  H11 UNL     1       1.322   1.037  -1.653  1.00  0.00           H  
HETATM   45  H12 UNL     1      -0.378   0.183  -1.478  1.00  0.00           H  
HETATM   46  H13 UNL     1      -2.517   0.968  -0.951  1.00  0.00           H  
HETATM   47  H14 UNL     1      -2.246  -0.754  -1.083  1.00  0.00           H  
HETATM   48  H15 UNL     1      -4.040  -0.347   1.263  1.00  0.00           H  
HETATM   49  H16 UNL     1      -6.548   0.167  -1.581  1.00  0.00           H  
HETATM   50  H17 UNL     1      -6.724  -2.314   0.223  1.00  0.00           H  
HETATM   51  H18 UNL     1      -7.250  -1.791  -1.427  1.00  0.00           H  
HETATM   52  H19 UNL     1      -9.167  -1.073  -0.569  1.00  0.00           H  
HETATM   53  H20 UNL     1      -8.526  -1.268   1.138  1.00  0.00           H  
HETATM   54  H21 UNL     1      -6.114   1.500   0.851  1.00  0.00           H  
HETATM   55  H22 UNL     1       1.736  -1.517   1.196  1.00  0.00           H  
HETATM   56  H23 UNL     1       3.027  -2.656  -2.094  1.00  0.00           H  
HETATM   57  H24 UNL     1       4.486  -4.524  -2.462  1.00  0.00           H  
HETATM   58  H25 UNL     1       4.701  -5.249   1.715  1.00  0.00           H  
HETATM   59  H26 UNL     1       3.238  -3.329   2.110  1.00  0.00           H  
CONECT    1    2   34   35
CONECT    2    3    4    4
CONECT    3   36   37
CONECT    4    5
CONECT    5    6   38   39
CONECT    6    7   40   41
CONECT    7    8   42   43
CONECT    8    9   22   44
CONECT    9   10   45
CONECT   10   11   11   12
CONECT   12   13   46   47
CONECT   13   14   48
CONECT   14   15   15   16
CONECT   16   17   21   49
CONECT   17   18   50   51
CONECT   18   19   52   53
CONECT   19   20   20   21
CONECT   21   54
CONECT   22   23   23   24
CONECT   24   25   55
CONECT   25   26   26   33
CONECT   26   27   56
CONECT   27   28   28   57
CONECT   28   29   32
CONECT   29   30   30   31
CONECT   32   33   33   58
CONECT   33   59
END

HMDB0250211
     RDKit          3D
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide
 59 60  0  0  0  0  0  0  0  0999 V2000
    2.8447    6.2104   -0.7025 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2092    5.0609    0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4878    4.4700   -0.1569 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4448    4.5778    0.9739 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7025    3.4713    1.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    2.2540    1.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120    1.7808    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840    0.5976   -0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0531    0.3885   -0.3933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966    0.2659    0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0943    0.3505    1.6802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273    0.0370   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6984   -0.1831    0.3106 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7392   -0.1612   -0.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3220    0.0034   -1.9086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1014   -0.2912   -0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0080   -1.4192   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3434   -0.8555    0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1130    0.6039    0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9663    1.5355    0.2987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6900    0.8089    0.3667 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1838   -0.5993   -0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878   -0.6838   -1.7069 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2355   -1.6270    0.3408 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0041   -2.7856    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3772   -3.1682   -1.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2052   -4.2692   -1.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6927   -5.0228   -0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5887   -6.1191   -0.6726 N   0  0  0  0  0  4  0  0  0  0  0  0
    6.0587   -6.7305    0.2724 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8966   -6.4399   -1.9523 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.3359   -4.6702    0.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061   -3.5778    1.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    6.4653   -0.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028    6.7495   -1.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2229    4.5291    0.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6137    4.0071   -1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556    3.1354    1.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4813    3.7913    2.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130    2.6682    1.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9166    1.5476    2.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1353    1.5783   -0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847    2.6828   -0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3221    1.0368   -1.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3783    0.1832   -1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5166    0.9682   -0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2465   -0.7539   -1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0400   -0.3474    1.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5475    0.1670   -1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7238   -2.3142    0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2496   -1.7914   -1.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1667   -1.0729   -0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5256   -1.2678    1.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1143    1.5001    0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7357   -1.5168    1.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0268   -2.6559   -2.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4856   -4.5241   -2.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7005   -5.2491    1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384   -3.3293    2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  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  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
  8 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 28 32  1  0
 32 33  2  0
 21 16  1  0
 33 25  1  0
  1 34  1  0
  1 35  1  0
  3 36  1  0
  3 37  1  0
  5 38  1  0
  5 39  1  0
  6 40  1  0
  6 41  1  0
  7 42  1  0
  7 43  1  0
  8 44  1  0
  9 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 16 49  1  0
 17 50  1  0
 17 51  1  0
 18 52  1  0
 18 53  1  0
 21 54  1  0
 24 55  1  0
 26 56  1  0
 27 57  1  0
 32 58  1  0
 33 59  1  0
M  CHG  2  29   1  31  -1
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₉H₂₆N₈O₆

Average Molecular Weight

462.467

Monoisotopic Molecular Weight

462.197530589

IUPAC Name

5-[(diaminomethylidene)amino]-N-(4-nitrophenyl)-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}pentanamide

Traditional Name

5-[(diaminomethylidene)amino]-N-(4-nitrophenyl)-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}pentanamide

CAS Registry Number

Not Available

SMILES

NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O

InChI Identifier

InChI=1S/C19H26N8O6/c20-19(21)22-9-1-2-13(18(31)24-11-3-5-12(6-4-11)27(32)33)26-16(29)10-23-17(30)14-7-8-15(28)25-14/h3-6,13-14H,1-2,7-10H2,(H,23,30)(H,24,31)(H,25,28)(H,26,29)(H4,20,21,22)

InChI Key

DGYWXYFLXYIOCP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Proline or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Nitrobenzene
Anilide
Nitroaromatic compound
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
N-arylamide
Monocyclic benzene moiety
Fatty amide
Fatty acyl
Pyrrolidone
2-pyrrolidone
Benzenoid
Pyrrolidine
Carboxamide group
Guanidine
Lactam
C-nitro compound
Organic nitro compound
Secondary carboxylic acid amide
Carboximidamide
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Allyl-type 1,3-dipolar organic compound
Azacycle
Organic oxoazanium
Organic nitrogen compound
Organic oxygen compound
Hydrocarbon derivative
Organic zwitterion
Organic oxide
Organic salt
Organonitrogen compound
Organooxygen compound
Carbonyl group
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.67	ALOGPS
logP	-2.5	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	11.19	ChemAxon
pKa (Strongest Basic)	10.65	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	223.94 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	115.92 m³·mol⁻¹	ChemAxon
Polarizability	46.41 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	197.219	30932474
DeepCCS	[M-H]-	194.861	30932474
DeepCCS	[M-2H]-	228.109	30932474
DeepCCS	[M+Na]+	203.451	30932474
AllCCS	[M+H]+	202.4	32859911
AllCCS	[M+H-H2O]+	200.5	32859911
AllCCS	[M+NH4]+	204.1	32859911
AllCCS	[M+Na]+	204.6	32859911
AllCCS	[M-H]-	197.6	32859911
AllCCS	[M+Na-2H]-	198.5	32859911
AllCCS	[M+HCOO]-	199.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide	NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O	5402.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide	NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O	4064.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide	NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O	5192.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4744.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4155.4	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #1	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	8209.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #2	C[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4548.7	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #2	C[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4114.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #2	C[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	8269.7	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #3	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	4610.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #3	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	4116.5	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #3	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	8182.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #4	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4487.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #4	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4048.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #4	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	8060.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #5	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	4504.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #5	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	3934.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TMS,isomer #5	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	8218.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	4842.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	4040.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	7740.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #10	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4414.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #10	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	3938.1	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #10	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	7764.6	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #11	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1[Si](C)(C)C	4387.9	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #11	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1[Si](C)(C)C	4030.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #11	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1[Si](C)(C)C	7660.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4307.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	3902.9	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	7681.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #2	C[Si](C)(C)N(C(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4739.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #2	C[Si](C)(C)N(C(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4210.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #2	C[Si](C)(C)N(C(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7729.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #3	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C	4636.8	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #3	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C	4117.5	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #3	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C	7800.5	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #4	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4723.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #4	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4115.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #4	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7716.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4609.7	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4053.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #5	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7602.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #6	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4576.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #6	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	3931.4	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #6	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7724.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #7	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4461.8	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #7	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4087.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #7	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	7842.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #8	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4352.4	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #8	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4067.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #8	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7743.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4375.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	3961.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	7854.5	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	4772.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	4157.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #1	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	7045.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C	4439.4	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C	3965.5	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #10	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C	7354.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C	4571.7	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C	4095.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #11	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C	7360.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #12	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C	4471.9	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #12	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C	4082.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #12	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C	7269.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #13	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4530.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #13	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4047.9	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #13	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7171.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #14	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4499.9	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #14	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	3947.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #14	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7264.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #15	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4400.8	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #15	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	3929.9	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #15	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	7181.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #16	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4283.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #16	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)C1CCC(=O)N1	3973.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #16	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)C1CCC(=O)N1	7466.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #17	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	4285.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #17	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	4061.4	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #17	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	7388.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #18	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4196.8	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #18	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	3971.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #18	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	7391.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #19	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	4215.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #19	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	3934.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #19	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	7300.9	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)N[Si](C)(C)C	4702.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)N[Si](C)(C)C	4013.0	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)N[Si](C)(C)C	7229.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	4795.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	4017.0	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	7135.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	4676.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	3976.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	6984.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	4661.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	3836.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	7093.6	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #6	C[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4549.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #6	C[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4195.5	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #6	C[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7389.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #7	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	4631.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #7	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	4185.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #7	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	7307.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #8	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4495.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #8	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4140.5	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #8	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7219.6	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	4470.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	4032.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	7302.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #1	C[Si](C)(C)N(C(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4672.4	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #1	C[Si](C)(C)N(C(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4281.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #1	C[Si](C)(C)N(C(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6401.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	4558.9	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	3858.4	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	6530.7	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #11	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	4480.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #11	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	3842.9	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #11	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	6420.5	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #12	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4479.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #12	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4195.1	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #12	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	7000.5	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #13	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4397.5	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #13	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4190.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #13	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	6932.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #14	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4346.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #14	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4070.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #14	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	6981.5	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #15	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4403.5	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #15	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4052.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #15	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	6895.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #16	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1[Si](C)(C)C	4430.4	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #16	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1[Si](C)(C)C	4154.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #16	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1[Si](C)(C)C	6837.6	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #17	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4322.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #17	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4043.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #17	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	6835.7	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #18	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C	4343.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #18	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C	3975.1	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #18	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C	6934.7	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #19	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C	4269.8	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #19	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C	3978.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #19	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C	6871.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4602.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4155.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #2	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6561.7	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #20	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4405.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #20	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4076.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #20	C[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6868.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #21	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4314.9	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #21	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	3947.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #21	C[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	6770.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #22	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	4109.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #22	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	3990.1	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #22	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	7035.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	4672.7	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	4145.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #3	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	6468.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	4559.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	4121.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #4	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	6354.7	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4500.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3974.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6429.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)N[Si](C)(C)C	4488.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)N[Si](C)(C)C	3864.4	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)N[Si](C)(C)C	6629.7	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4627.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4005.4	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6660.9	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4557.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3998.0	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6542.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #9	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	4615.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #9	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	3967.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,4TMS,isomer #9	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C	6429.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #1	C[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4510.5	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #1	C[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4277.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #1	C[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5940.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4363.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3990.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5840.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #11	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4407.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #11	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3887.0	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #11	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6123.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #12	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4361.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #12	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3879.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #12	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6029.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #13	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4486.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #13	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3987.5	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #13	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	6038.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #14	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	4424.7	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #14	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	3851.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #14	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N[Si](C)(C)C	5921.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #15	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4283.8	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #15	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4090.4	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #15	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)C1CCC(=O)N1	6616.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #16	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	4331.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #16	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	4184.5	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #16	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	6577.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #17	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4245.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #17	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4093.5	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #17	C[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	6567.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #18	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	4281.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #18	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	4060.5	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #18	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	6477.9	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #19	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4202.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #19	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3996.5	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #19	C[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6499.5	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #2	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	4549.9	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #2	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	4261.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #2	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	5852.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #3	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4494.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #3	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4253.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #3	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5759.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #4	C[Si](C)(C)N(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	4427.9	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #4	C[Si](C)(C)N(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	4118.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #4	C[Si](C)(C)N(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	5812.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4365.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4013.1	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #5	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6020.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4505.4	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4148.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #6	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6051.7	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4440.8	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4153.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5957.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	4486.7	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	4121.0	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C)[Si](C)(C)C	5855.5	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #9	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4424.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #9	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3998.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,5TMS,isomer #9	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5927.6	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #1	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4429.4	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #1	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4275.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #1	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	5489.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4315.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4010.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #10	C[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5399.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #11	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	4300.5	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #11	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3891.1	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #11	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	5593.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #12	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	4223.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #12	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	4104.4	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #12	C[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C	6258.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #2	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)N(C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4413.9	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #2	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)N(C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	4281.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #2	C[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)N(C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C	5408.7	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #3	C[Si](C)(C)N(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4322.5	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #3	C[Si](C)(C)N(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4156.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #3	C[Si](C)(C)N(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	5457.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #4	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4352.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #4	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	4141.5	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #4	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)C(=O)C1CCC(=O)N1	5365.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #5	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1[Si](C)(C)C	4444.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #5	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1[Si](C)(C)C	4248.4	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #5	C[Si](C)(C)N(CC(=O)NC(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1[Si](C)(C)C	5316.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #6	C[Si](C)(C)N(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4342.4	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #6	C[Si](C)(C)N(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4135.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #6	C[Si](C)(C)N(C(=O)C(CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	5291.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4288.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4038.0	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #7	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5582.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4262.7	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4040.1	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #8	C[Si](C)(C)NC(=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5501.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #9	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4376.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #9	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4142.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,6TMS,isomer #9	C[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5518.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5001.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4338.4	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7919.9	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4829.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4291.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	8037.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	4897.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	4302.9	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	7989.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4816.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4247.9	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7906.5	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	4775.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	4132.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	7988.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	5280.8	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	4401.0	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	7147.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1	4917.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1	4317.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1	7490.9	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C	4936.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C	4407.1	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C	7441.6	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4852.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4279.4	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	7421.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	5166.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	4546.1	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	7412.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C	5084.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C	4462.9	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C	7444.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5186.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4475.1	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7389.6	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5123.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4420.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7304.7	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	5031.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	4294.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	7372.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1	4954.8	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1	4449.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1	7568.0	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	4913.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	4432.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	7488.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4846.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4327.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	7551.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5376.8	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4650.9	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6471.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C	5064.9	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C	4458.9	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C	6991.5	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5201.5	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4588.0	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7016.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5177.5	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4573.4	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6938.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5219.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4555.0	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	6888.7	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	5163.4	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	4449.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	6930.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	5125.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	4428.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(N)=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C	6865.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1	4955.2	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1	4495.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1	7150.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C	4994.0	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C	4583.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CCCN=C(N)N)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C	7116.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4908.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	4486.6	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N)N(C(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=CC=C([N+](=O)[O-])C=C1	7090.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C	4932.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C	4457.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)C(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C	7040.6	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5323.7	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4499.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=NCCCC(C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)CNC(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6609.4	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	5429.6	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	4515.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CN(C(=O)C1CCC(=O)N1)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	6546.5	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	5377.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	4486.8	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N[Si](C)(C)C(C)(C)C	6455.8	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	5287.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4336.3	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	6513.2	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5202.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4667.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)CNC(=O)C1CCC(=O)N1)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	7024.5	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	5312.9	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	4672.7	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)C(=O)C1CCC(=O)N1	6974.3	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	5248.1	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	4639.0	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N1C(=O)CCC1C(=O)NCC(=O)NC(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1	6903.1	Standard polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	5150.3	Semi standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	4522.2	Standard non polar	33892256
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CNC(=O)C1CCC(=O)N1)C1=CC=C([N+](=O)[O-])C=C1	6947.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 5-Oxo-prolyl-glycyl-arginine-4-nitroanilide GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-9603100000-f484af51ccdb8d7e00b5	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-Oxo-prolyl-glycyl-arginine-4-nitroanilide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

9880026

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11705303

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for 5-Oxo-prolyl-glycyl-arginine-4-nitroanilide (HMDB0250211)

MOL for HMDB0250211 (5-Oxo-prolyl-glycyl-arginine-4-nitroanilide)

3D MOL for HMDB0250211 (5-Oxo-prolyl-glycyl-arginine-4-nitroanilide)

3D SDF for HMDB0250211 (5-Oxo-prolyl-glycyl-arginine-4-nitroanilide)

3D-SDF for HMDB0250211 (5-Oxo-prolyl-glycyl-arginine-4-nitroanilide)

PDB for HMDB0250211 (5-Oxo-prolyl-glycyl-arginine-4-nitroanilide)

3D PDB for HMDB0250211 (5-Oxo-prolyl-glycyl-arginine-4-nitroanilide)

SMILES for HMDB0250211 (5-Oxo-prolyl-glycyl-arginine-4-nitroanilide)

INCHI for HMDB0250211 (5-Oxo-prolyl-glycyl-arginine-4-nitroanilide)

Structure for HMDB0250211 (5-Oxo-prolyl-glycyl-arginine-4-nitroanilide)

3D Structure for HMDB0250211 (5-Oxo-prolyl-glycyl-arginine-4-nitroanilide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra