Hmdb loader

Showing metabocard for Valyl-leucyl-lysine 4-nitroanilide (HMDB0250805)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 07:54:50 UTC
Update Date2021-09-26 23:02:28 UTC
HMDB IDHMDB0250805
Secondary Accession NumbersNone
Metabolite Identification
Common NameValyl-leucyl-lysine 4-nitroanilide
DescriptionN-{5-amino-1-[(4-nitrophenyl)carbamoyl]pentyl}-2-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-4-methylpentanimidic acid 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 N-{5-amino-1-[(4-nitrophenyl)carbamoyl]pentyl}-2-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-4-methylpentanimidic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Valyl-leucyl-lysine 4-nitroanilide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Valyl-leucyl-lysine 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0250805 (Valyl-leucyl-lysine 4-nitroanilide)


  Mrv1652309112109552D          

 34 34  0  0  0  0            999 V2000
    4.7660   -5.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5855   -5.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9134   -6.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0773   -4.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7495   -4.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9299   -3.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6021   -3.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382   -4.5909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6186   -4.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2908   -3.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1269   -5.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4547   -5.9158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2247   -2.0358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 31 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  CHG  2  24   1  26  -1
M  END
Download

3D MOL for HMDB0250805 (Valyl-leucyl-lysine 4-nitroanilide)

HMDB0250805
     RDKit          3D
Valyl-leucyl-lysine 4-nitroanilide
 72 72  0  0  0  0  0  0  0  0999 V2000
    4.3851   -1.5963    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940   -2.4557   -0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -3.7951    0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5186    0.5660   -0.2649 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911    1.4431   -1.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7043    3.6177   -2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
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 16 56  1  0
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 28 70  1  0
 33 71  1  0
 34 72  1  0
M  CHG  2  30   1  32  -1
M  END
Download

3D SDF for HMDB0250805 (Valyl-leucyl-lysine 4-nitroanilide)


  Mrv1652309112109552D          

 34 34  0  0  0  0            999 V2000
    4.7660   -5.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5855   -5.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9134   -6.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0773   -4.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7495   -4.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9299   -3.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6021   -3.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6186   -4.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4712   -3.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9960   -2.0358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1269   -5.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3404   -7.7138    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    8.8638   -2.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2247   -2.0358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  CHG  2  24   1  26  -1
M  END
> <DATABASE_ID>
HMDB0250805

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C23H38N6O5/c1-14(2)13-19(28-23(32)20(25)15(3)4)22(31)27-18(7-5-6-12-24)21(30)26-16-8-10-17(11-9-16)29(33)34/h8-11,14-15,18-20H,5-7,12-13,24-25H2,1-4H3,(H,26,30)(H,27,31)(H,28,32)

> <INCHI_KEY>
CAJXYXPLLJDEOB-UHFFFAOYSA-N

> <FORMULA>
C23H38N6O5

> <MOLECULAR_WEIGHT>
478.594

> <EXACT_MASS>
478.290368348

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
50.720996596226755

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-amino-2-[2-(2-amino-3-methylbutanamido)-4-methylpentanamido]-N-(4-nitrophenyl)hexanamide

> <ALOGPS_LOGP>
1.33

> <JCHEM_LOGP>
1.7322414669999993

> <ALOGPS_LOGS>
-4.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
12.540608396840714

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.909475599564335

> <JCHEM_PKA_STRONGEST_BASIC>
10.19852199937376

> <JCHEM_POLAR_SURFACE_AREA>
182.48000000000002

> <JCHEM_REFRACTIVITY>
129.6713

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.20e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-amino-2-[2-(2-amino-3-methylbutanamido)-4-methylpentanamido]-N-(4-nitrophenyl)hexanamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0250805 (Valyl-leucyl-lysine 4-nitroanilide)

HMDB0250805
     RDKit          3D
Valyl-leucyl-lysine 4-nitroanilide
 72 72  0  0  0  0  0  0  0  0999 V2000
    4.3851   -1.5963    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940   -2.4557   -0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -3.7951    0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9247   -1.7976    0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5870   -0.5047   -0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5186    0.5660   -0.2649 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911    1.4431   -1.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3530    1.2172   -2.4570 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8411    2.5712   -1.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7522    3.4184   -2.3692 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2393    2.0122   -1.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6092    1.2357   -2.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    3.1074   -0.8444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2287   -0.0918    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1588    1.0310    0.6223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8461   -0.9603    0.0032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2018   -0.8112    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4401   -1.3282    1.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103   -2.7851    1.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9414   -3.6161    0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5999   -5.1064    1.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4537   -5.8242    0.2004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7665    0.5707    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763    1.4598   -0.3311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0811    0.8248    0.5989 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7419    2.0618    0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2850    3.1294   -0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9949    4.3304   -0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1859    4.4770    0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9186    5.6833    0.2236 N   0  0  0  0  0  4  0  0  0  0  0  0
   -7.9983    5.8477    0.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4496    6.7322   -0.5249 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.6498    3.4014    1.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9587    2.2399    1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3402   -2.1972    0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3611   -1.1357    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5386   -0.8340   -0.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1420   -2.6102   -1.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626   -3.6010    1.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4912   -4.4155    0.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2880   -4.2538   -0.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9010   -1.6472    1.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1185   -2.5753    0.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4474   -0.6787   -1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9508    0.7324    0.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5964    3.2166   -0.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7043    3.6177   -2.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1373    3.0125   -3.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2783    1.3690   -0.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8646    1.9200   -3.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7562    0.6036   -2.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4497    0.5573   -2.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9041    3.7741   -0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5608    3.6060   -1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1744    2.6064   -0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6381   -1.9047   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8418   -1.4158   -0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8732   -0.7675    2.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5071   -1.2206    2.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -2.8834    1.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775   -3.1586    2.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0033   -3.5208    1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7910   -3.4065   -0.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8113   -5.4737    2.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5178   -5.2719    0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9800   -6.7129   -0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5334   -5.2377   -0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6339    0.0343    1.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3719    3.0815   -0.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5971    5.1591   -0.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5944    3.5259    1.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3282    1.4184    1.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
  5 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  1  0
 20 21  1  0
 21 22  1  0
 17 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 29 33  1  0
 33 34  2  0
 34 26  1  0
  1 35  1  0
  1 36  1  0
  1 37  1  0
  2 38  1  0
  3 39  1  0
  3 40  1  0
  3 41  1  0
  4 42  1  0
  4 43  1  0
  5 44  1  0
  6 45  1  0
  9 46  1  0
 10 47  1  0
 10 48  1  0
 11 49  1  0
 12 50  1  0
 12 51  1  0
 12 52  1  0
 13 53  1  0
 13 54  1  0
 13 55  1  0
 16 56  1  0
 17 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 19 61  1  0
 20 62  1  0
 20 63  1  0
 21 64  1  0
 21 65  1  0
 22 66  1  0
 22 67  1  0
 25 68  1  0
 27 69  1  0
 28 70  1  0
 33 71  1  0
 34 72  1  0
M  CHG  2  30   1  32  -1
M  END
Download

PDB for HMDB0250805 (Valyl-leucyl-lysine 4-nitroanilide)

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       8.897  -9.983   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.426 -10.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.038 -11.573   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.344  -8.923   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.732  -7.510   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.202  -7.333   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       8.591  -5.920   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       8.285  -8.570   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       6.755  -8.393   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.143  -6.980   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.613  -6.803   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.471  -5.213   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       1.859  -3.800   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       5.837  -9.630   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       6.449 -11.043   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0       4.307  -9.453   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       3.389 -10.690   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001 -12.103   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.083 -13.339   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.553 -13.163   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.941 -11.749   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.859 -10.513   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0       0.635 -14.399   0.000  0.00  0.00           N+1
HETATM   25  O   UNK     0      -0.894 -14.223   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.247 -15.812   0.000  0.00  0.00           O-1
HETATM   27  N   UNK     0      11.650  -6.273   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      13.180  -6.450   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      13.792  -7.863   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      14.098  -5.213   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      15.628  -5.390   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.546  -4.153   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      16.240  -6.803   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0      13.486  -3.800   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   27                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15    9   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22   18                                                       
CONECT   24   21   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27    5   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   34                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   30                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   68    0
END
Download

3D PDB for HMDB0250805 (Valyl-leucyl-lysine 4-nitroanilide)

COMPND    HMDB0250805
HETATM    1  C1  UNL     1       4.385  -1.596   0.086  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.194  -2.456  -0.207  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.402  -3.795   0.484  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.925  -1.798   0.213  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.587  -0.505  -0.435  1.00  0.00           C  
HETATM    6  N1  UNL     1       2.519   0.566  -0.265  1.00  0.00           N  
HETATM    7  C6  UNL     1       2.891   1.443  -1.329  1.00  0.00           C  
HETATM    8  O1  UNL     1       2.353   1.217  -2.457  1.00  0.00           O  
HETATM    9  C7  UNL     1       3.841   2.571  -1.176  1.00  0.00           C  
HETATM   10  N2  UNL     1       3.752   3.418  -2.369  1.00  0.00           N  
HETATM   11  C8  UNL     1       5.239   2.012  -1.046  1.00  0.00           C  
HETATM   12  C9  UNL     1       5.609   1.236  -2.279  1.00  0.00           C  
HETATM   13  C10 UNL     1       6.264   3.107  -0.844  1.00  0.00           C  
HETATM   14  C11 UNL     1       0.229  -0.092   0.106  1.00  0.00           C  
HETATM   15  O2  UNL     1       0.159   1.031   0.622  1.00  0.00           O  
HETATM   16  N3  UNL     1      -0.846  -0.960   0.003  1.00  0.00           N  
HETATM   17  C12 UNL     1      -2.202  -0.811   0.415  1.00  0.00           C  
HETATM   18  C13 UNL     1      -2.440  -1.328   1.790  1.00  0.00           C  
HETATM   19  C14 UNL     1      -2.110  -2.785   1.901  1.00  0.00           C  
HETATM   20  C15 UNL     1      -2.941  -3.616   0.984  1.00  0.00           C  
HETATM   21  C16 UNL     1      -2.600  -5.106   1.121  1.00  0.00           C  
HETATM   22  N4  UNL     1      -3.454  -5.824   0.200  1.00  0.00           N  
HETATM   23  C17 UNL     1      -2.766   0.571   0.197  1.00  0.00           C  
HETATM   24  O3  UNL     1      -2.076   1.460  -0.331  1.00  0.00           O  
HETATM   25  N5  UNL     1      -4.081   0.825   0.599  1.00  0.00           N  
HETATM   26  C18 UNL     1      -4.742   2.062   0.455  1.00  0.00           C  
HETATM   27  C19 UNL     1      -4.285   3.129  -0.285  1.00  0.00           C  
HETATM   28  C20 UNL     1      -4.995   4.330  -0.370  1.00  0.00           C  
HETATM   29  C21 UNL     1      -6.186   4.477   0.295  1.00  0.00           C  
HETATM   30  N6  UNL     1      -6.919   5.683   0.224  1.00  0.00           N1+
HETATM   31  O4  UNL     1      -7.998   5.848   0.824  1.00  0.00           O  
HETATM   32  O5  UNL     1      -6.450   6.732  -0.525  1.00  0.00           O1-
HETATM   33  C22 UNL     1      -6.650   3.401   1.042  1.00  0.00           C  
HETATM   34  C23 UNL     1      -5.959   2.240   1.121  1.00  0.00           C  
HETATM   35  H1  UNL     1       5.340  -2.197   0.085  1.00  0.00           H  
HETATM   36  H2  UNL     1       4.361  -1.136   1.096  1.00  0.00           H  
HETATM   37  H3  UNL     1       4.539  -0.834  -0.696  1.00  0.00           H  
HETATM   38  H4  UNL     1       3.142  -2.610  -1.313  1.00  0.00           H  
HETATM   39  H5  UNL     1       3.663  -3.601   1.539  1.00  0.00           H  
HETATM   40  H6  UNL     1       2.491  -4.415   0.360  1.00  0.00           H  
HETATM   41  H7  UNL     1       4.288  -4.254  -0.007  1.00  0.00           H  
HETATM   42  H8  UNL     1       1.901  -1.647   1.330  1.00  0.00           H  
HETATM   43  H9  UNL     1       1.119  -2.575   0.055  1.00  0.00           H  
HETATM   44  H10 UNL     1       1.447  -0.679  -1.540  1.00  0.00           H  
HETATM   45  H11 UNL     1       2.951   0.732   0.662  1.00  0.00           H  
HETATM   46  H12 UNL     1       3.596   3.217  -0.317  1.00  0.00           H  
HETATM   47  H13 UNL     1       4.704   3.618  -2.702  1.00  0.00           H  
HETATM   48  H14 UNL     1       3.137   3.013  -3.100  1.00  0.00           H  
HETATM   49  H15 UNL     1       5.278   1.369  -0.170  1.00  0.00           H  
HETATM   50  H16 UNL     1       5.865   1.920  -3.120  1.00  0.00           H  
HETATM   51  H17 UNL     1       4.756   0.604  -2.611  1.00  0.00           H  
HETATM   52  H18 UNL     1       6.450   0.557  -2.020  1.00  0.00           H  
HETATM   53  H19 UNL     1       5.904   3.774  -0.050  1.00  0.00           H  
HETATM   54  H20 UNL     1       6.561   3.606  -1.772  1.00  0.00           H  
HETATM   55  H21 UNL     1       7.174   2.606  -0.436  1.00  0.00           H  
HETATM   56  H22 UNL     1      -0.638  -1.905  -0.469  1.00  0.00           H  
HETATM   57  H23 UNL     1      -2.842  -1.416  -0.308  1.00  0.00           H  
HETATM   58  H24 UNL     1      -1.873  -0.767   2.572  1.00  0.00           H  
HETATM   59  H25 UNL     1      -3.507  -1.221   2.086  1.00  0.00           H  
HETATM   60  H26 UNL     1      -1.016  -2.883   1.702  1.00  0.00           H  
HETATM   61  H27 UNL     1      -2.277  -3.159   2.932  1.00  0.00           H  
HETATM   62  H28 UNL     1      -4.003  -3.521   1.226  1.00  0.00           H  
HETATM   63  H29 UNL     1      -2.791  -3.406  -0.099  1.00  0.00           H  
HETATM   64  H30 UNL     1      -2.811  -5.474   2.140  1.00  0.00           H  
HETATM   65  H31 UNL     1      -1.518  -5.272   0.905  1.00  0.00           H  
HETATM   66  H32 UNL     1      -2.980  -6.713  -0.077  1.00  0.00           H  
HETATM   67  H33 UNL     1      -3.533  -5.238  -0.662  1.00  0.00           H  
HETATM   68  H34 UNL     1      -4.634   0.034   1.036  1.00  0.00           H  
HETATM   69  H35 UNL     1      -3.372   3.081  -0.834  1.00  0.00           H  
HETATM   70  H36 UNL     1      -4.597   5.159  -0.970  1.00  0.00           H  
HETATM   71  H37 UNL     1      -7.594   3.526   1.565  1.00  0.00           H  
HETATM   72  H38 UNL     1      -6.328   1.418   1.702  1.00  0.00           H  
CONECT    1    2   35   36   37
CONECT    2    3    4   38
CONECT    3   39   40   41
CONECT    4    5   42   43
CONECT    5    6   14   44
CONECT    6    7   45
CONECT    7    8    8    9
CONECT    9   10   11   46
CONECT   10   47   48
CONECT   11   12   13   49
CONECT   12   50   51   52
CONECT   13   53   54   55
CONECT   14   15   15   16
CONECT   16   17   56
CONECT   17   18   23   57
CONECT   18   19   58   59
CONECT   19   20   60   61
CONECT   20   21   62   63
CONECT   21   22   64   65
CONECT   22   66   67
CONECT   23   24   24   25
CONECT   25   26   68
CONECT   26   27   27   34
CONECT   27   28   69
CONECT   28   29   29   70
CONECT   29   30   33
CONECT   30   31   31   32
CONECT   33   34   34   71
CONECT   34   72
END
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SMILES for HMDB0250805 (Valyl-leucyl-lysine 4-nitroanilide)

CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O
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INCHI for HMDB0250805 (Valyl-leucyl-lysine 4-nitroanilide)

InChI=1S/C23H38N6O5/c1-14(2)13-19(28-23(32)20(25)15(3)4)22(31)27-18(7-5-6-12-24)21(30)26-16-8-10-17(11-9-16)29(33)34/h8-11,14-15,18-20H,5-7,12-13,24-25H2,1-4H3,(H,26,30)(H,27,31)(H,28,32)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
N-{5-amino-1-[(4-nitrophenyl)carbamoyl]pentyl}-2-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-4-methylpentanimidateGenerator
Chemical FormulaC23H38N6O5
Average Molecular Weight478.594
Monoisotopic Molecular Weight478.290368348
IUPAC Name6-amino-2-[2-(2-amino-3-methylbutanamido)-4-methylpentanamido]-N-(4-nitrophenyl)hexanamide
Traditional Name6-amino-2-[2-(2-amino-3-methylbutanamido)-4-methylpentanamido]-N-(4-nitrophenyl)hexanamide
CAS Registry NumberNot Available
SMILES
CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O
InChI Identifier
InChI=1S/C23H38N6O5/c1-14(2)13-19(28-23(32)20(25)15(3)4)22(31)27-18(7-5-6-12-24)21(30)26-16-8-10-17(11-9-16)29(33)34/h8-11,14-15,18-20H,5-7,12-13,24-25H2,1-4H3,(H,26,30)(H,27,31)(H,28,32)
InChI KeyCAJXYXPLLJDEOB-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Leucine or derivatives
  • Valine 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
  • N-arylamide
  • Monocyclic benzene moiety
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Benzenoid
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Organic nitro compound
  • C-nitro compound
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Allyl-type 1,3-dipolar organic compound
  • Organic oxoazanium
  • Organic salt
  • Hydrocarbon derivative
  • Organic oxide
  • Primary aliphatic amine
  • Organic oxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organooxygen compound
  • Primary amine
  • Amine
  • Organic zwitterion
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP1.33ALOGPS
logP1.73ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)11.91ChemAxon
pKa (Strongest Basic)10.2ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area182.48 ŲChemAxon
Rotatable Bond Count14ChemAxon
Refractivity129.67 m³·mol⁻¹ChemAxon
Polarizability50.72 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+211.06830932474
DeepCCS[M-H]-208.7130932474
DeepCCS[M-2H]-241.59430932474
DeepCCS[M+Na]+217.39330932474
AllCCS[M+H]+216.232859911
AllCCS[M+H-H2O]+214.732859911
AllCCS[M+NH4]+217.632859911
AllCCS[M+Na]+217.932859911
AllCCS[M-H]-205.532859911
AllCCS[M+Na-2H]-207.432859911
AllCCS[M+HCOO]-209.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Valyl-leucyl-lysine 4-nitroanilideCC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O4570.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilideCC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O3322.6Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilideCC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O3924.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #1CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C14007.4Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #1CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C13737.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #1CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C15952.4Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #2CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14085.3Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #2CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C13815.1Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #2CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C16265.8Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #3CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C3873.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #3CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C3688.2Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #3CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C6401.6Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #4CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3863.9Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #4CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3670.9Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #4CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C6509.1Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #5CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3774.1Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #5CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3606.6Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TMS,isomer #5CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C6446.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #1CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14083.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #1CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C13822.9Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #1CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C15321.0Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #10CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3771.1Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #10CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3711.4Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #10CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C6072.7Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #11CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3696.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #11CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3666.9Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #11CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C5987.1Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #12CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C3703.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #12CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C3638.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #12CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C6096.6Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #2CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3899.2Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #2CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3704.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #2CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C5544.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #3CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C14046.4Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #3CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C13772.1Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #3CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C15644.5Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #4CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3864.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #4CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3720.5Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #4CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C5545.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #5CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3779.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #5CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3638.1Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #5CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C5463.4Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #6CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C3955.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #6CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C3810.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #6CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C5744.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #7CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3951.3Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #7CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3777.9Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #7CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C5864.5Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #8CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14149.5Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #8CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C13888.7Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #8CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C15986.8Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #9CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3851.3Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #9CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3689.9Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TMS,isomer #9CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C5772.5Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #1CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3949.1Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #1CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3812.1Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #1CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C4923.5Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #10CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3888.1Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #10CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3729.6Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #10CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C5224.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #11CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C3682.3Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #11CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C3672.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #11CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C5143.7Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #12CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3832.9Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #12CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3830.9Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #12CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C5436.6Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #13CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C4040.0Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #13CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C3909.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #13CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C5552.6Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #14CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3743.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #14CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3767.1Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #14CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C5338.7Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #15CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4011.2Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #15CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3876.1Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #15CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C5654.5Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #16CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C3746.1Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #16CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C3724.0Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #16CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C5451.1Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #17CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3954.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #17CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3802.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #17CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C5566.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #18CC(C)CC(C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3643.3Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #18CC(C)CC(C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3710.5Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #18CC(C)CC(C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C5711.3Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #2CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14123.0Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #2CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C13864.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #2CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C15006.7Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #3CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3924.3Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #3CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3811.9Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #3CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4922.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #4CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14113.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #4CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C13891.1Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #4CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C15076.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #5CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3844.2Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #5CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3719.4Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #5CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4837.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #6CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3783.5Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #6CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3737.8Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #6CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C5216.0Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #7CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3698.5Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #7CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3677.7Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #7CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C5132.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #8CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3984.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #8CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3788.5Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #8CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5297.7Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #9CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3950.5Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #9CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3796.8Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TMS,isomer #9CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C5297.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #1CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3845.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #1CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3857.7Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #1CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C4619.1Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #10CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3958.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #10CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3822.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #10CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4670.0Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #11CC(C)CC(C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3645.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #11CC(C)CC(C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3725.9Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #11CC(C)CC(C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C4875.3Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #12CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3919.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #12CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3854.1Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #12CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C5013.0Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #13CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3864.1Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #13CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3795.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #13CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4940.5Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #14CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C3840.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #14CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C3781.0Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #14CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C4949.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #15CC(C)CC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3973.0Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #15CC(C)CC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3943.5Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #15CC(C)CC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C5290.5Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #16CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3702.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #16CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3815.8Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #16CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C5107.6Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #17CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3929.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #17CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C3883.8Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #17CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C5201.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #18CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN([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)C3915.1Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #18CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN([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)C3839.6Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #18CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN([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)C5292.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #2CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C4039.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #2CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3912.2Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #2CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C4748.0Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #3CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3753.9Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #3CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3786.2Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #3CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C4537.5Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #4CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4042.1Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #4CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3908.7Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #4CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4683.3Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #5CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4014.2Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #5CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3901.8Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #5CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4678.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #6CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14247.5Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #6CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C13955.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #6CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14809.1Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #7CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3953.0Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #7CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3820.2Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #7CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4596.8Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #8CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3995.0Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #8CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3904.2Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #8CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4749.7Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #9CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C3752.3Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #9CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C3768.6Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,4TMS,isomer #9CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C4549.1Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #1CC(C)CC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3980.1Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #1CC(C)CC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3970.5Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #1CC(C)CC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C4466.4Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #10CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN([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)C3904.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #10CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN([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)C3877.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #10CC(C)CC(NC(=O)C(N[Si](C)(C)C)C(C)C)C(=O)N(C(CCCCN([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)C4396.0Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #11CC(C)CC(C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3857.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #11CC(C)CC(C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3860.4Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #11CC(C)CC(C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4722.6Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #12CC(C)CC(C(=O)N(C(CCCCN([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)N(C(=O)C(N)C(C)C)[Si](C)(C)C3910.3Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #12CC(C)CC(C(=O)N(C(CCCCN([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)N(C(=O)C(N)C(C)C)[Si](C)(C)C3934.7Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #12CC(C)CC(C(=O)N(C(CCCCN([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)N(C(=O)C(N)C(C)C)[Si](C)(C)C4997.8Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #2CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3715.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #2CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3846.2Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #2CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C4283.5Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #3CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3979.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #3CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3981.0Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #3CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4396.3Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #4CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3921.0Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #4CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C3901.5Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #4CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C4385.7Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #5CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4224.2Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #5CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4022.4Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #5CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4506.3Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #6CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3921.0Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #6CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3908.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #6CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)N(C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4315.3Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #7CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4187.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #7CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4005.8Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #7CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4502.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #8CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C3900.3Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #8CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C3886.8Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #8CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C)[Si](C)(C)C4319.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #9CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4153.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #9CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C3932.5Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,5TMS,isomer #9CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C4423.7Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #1CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C14233.2Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #1CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C13925.1Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #1CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C15828.3Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #2CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14339.3Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #2CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C13989.9Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #2CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C16126.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #3CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4179.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #3CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C3883.1Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #3CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C6271.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #4CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4166.0Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #4CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C3863.6Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #4CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C6358.6Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #5CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4091.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #5CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C3784.8Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,1TBDMS,isomer #5CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C6302.1Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #1CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14548.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #1CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14158.2Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #1CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C15209.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #10CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4297.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #10CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4066.5Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #10CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C5912.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #11CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4247.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #11CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C3996.5Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #11CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C5841.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #12CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4232.1Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #12CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3972.7Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #12CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5924.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #2CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4405.5Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #2CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4052.2Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #2CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C5423.8Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #3CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C14534.3Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #3CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C14075.6Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #3CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C15494.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #4CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4352.2Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #4CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4063.8Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #4CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C5418.8Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #5CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4278.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #5CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C3963.8Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #5CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C5357.7Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #6CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4484.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #6CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4156.9Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #6CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C5627.0Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #7CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4468.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #7CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4122.5Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #7CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C5708.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #8CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14632.0Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #8CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14189.0Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #8CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C15799.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #9CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4385.4Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #9CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4025.0Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,2TBDMS,isomer #9CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C5641.1Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #1CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4670.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #1CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4311.9Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #1CC(C)CC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4919.5Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #10CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4630.5Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #10CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4166.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #10CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C5138.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #11CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4392.5Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #11CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4142.5Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #11CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)N(C(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5099.5Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #12CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4569.0Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #12CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4323.7Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #12CC(C)CC(C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C5372.1Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #13CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4768.4Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #13CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4365.8Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #13CC(C)CC(C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C5439.0Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #14CC(C)CC(C(=O)NC(CCCCN[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)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4502.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #14CC(C)CC(C(=O)NC(CCCCN[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)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4237.7Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #14CC(C)CC(C(=O)NC(CCCCN[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)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C5302.6Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #15CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4734.0Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #15CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4332.2Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #15CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C5502.7Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #16CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN[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)[Si](C)(C)C(C)(C)C4497.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #16CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN[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)[Si](C)(C)C(C)(C)C4193.2Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #16CC(C)CC(NC(=O)C(N)C(C)C)C(=O)N(C(CCCCN[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)[Si](C)(C)C(C)(C)C5373.6Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #17CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4693.0Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #17CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4249.0Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #17CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C5437.0Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #18CC(C)CC(C(=O)N(C(CCCCN)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)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4372.2Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #18CC(C)CC(C(=O)N(C(CCCCN)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)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C4183.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #18CC(C)CC(C(=O)N(C(CCCCN)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)N(C(=O)C(N)C(C)C)[Si](C)(C)C(C)(C)C5617.6Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #2CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14855.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #2CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14331.6Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #2CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14949.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #3CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4617.7Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #3CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4299.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #3CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4912.9Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #4CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14812.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #4CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C14351.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #4CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C15005.7Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #5CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4552.6Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #5CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4193.2Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #5CC(C)CC(NC(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4856.6Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #6CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4479.2Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #6CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4238.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #6CC(C)CC(C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C5153.3Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #7CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4425.9Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #7CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4150.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #7CC(C)CC(C(=O)NC(CCCCN)C(=O)N(C1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C)N(C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C5093.2Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #8CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4720.8Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #8CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4264.3Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #8CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)N(C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5198.0Standard polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #9CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4653.9Semi standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #9CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C4253.0Standard non polar33892256
Valyl-leucyl-lysine 4-nitroanilide,3TBDMS,isomer #9CC(C)CC(NC(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)NC1=CC=C([N+](=O)[O-])C=C1)[Si](C)(C)C(C)(C)C5188.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-leucyl-lysine 4-nitroanilide GC-MS (Non-derivatized) - 70eV, Positivesplash10-00di-9210200000-4d5742949802b8ea5a6e2021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-leucyl-lysine 4-nitroanilide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID2848121
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3612797
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]