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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:08 UTC

Update Date

2021-09-14 15:47:05 UTC

HMDB ID

HMDB0028962

Secondary Accession Numbers

HMDB28962

Metabolite Identification

Common Name

Lysyltryptophan

Description

Valylproline is a dipeptide composed of valine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Structure

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

HMDB0028962
     RDKit          3D
Lysyltryptophan
 48 49  0  0  0  0  0  0  0  0999 V2000
    3.3270    1.3312    1.6418 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594    1.2470    1.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2703   -0.1026    1.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9276   -0.5243   -0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4778   -0.6364   -0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -1.6413    0.5059 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3242   -2.9615    0.3169 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452   -1.6458    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8776   -2.7091   -0.4282 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5430   -0.4933    0.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8352   -0.5333   -0.3535 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6871   -0.4117    0.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1312   -0.3958    0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0097   -1.4761    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2320   -1.0336    0.3434 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2100    0.2986    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2387    1.1569   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9106    2.4937   -0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6215    2.9484   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6104    2.0772    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103    0.7201    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0891    0.3623   -1.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2026    1.1674   -1.8739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3052    0.3699   -2.1266 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391    1.4160    2.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0593    2.1917    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2372    2.0254    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1057    1.4279    2.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9046   -0.8383    2.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3809   -0.0717    1.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4020   -1.5044   -0.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3321    0.2323   -0.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9025    0.2928   -0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3886   -1.0764   -1.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8326   -1.4000    1.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9982   -3.3075   -0.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -3.5892    1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.3881    0.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969   -1.5989   -0.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4603   -1.3010    1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    0.4619    1.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6596   -2.4758    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0764   -1.6457    0.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2575    0.8220   -0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6803    3.1859   -0.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3630    3.9974   -0.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838    2.3824    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3943    0.3770   -3.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 11 22  1  0
 22 23  2  0
 22 24  1  0
 21 13  1  0
 21 16  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  1
  7 36  1  0
  7 37  1  0
 10 38  1  0
 11 39  1  6
 12 40  1  0
 12 41  1  0
 14 42  1  0
 15 43  1  0
 17 44  1  0
 18 45  1  0
 19 46  1  0
 20 47  1  0
 24 48  1  0
M  END

      
  Mrv1652304062014002D          

 24 25  0  0  0  0            999 V2000
10000.7079 9998.9199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.9936 9998.5075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2791 9998.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5637 9998.5075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.8496 9998.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1356 9998.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4194 9998.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7052 9998.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.9892 9998.9199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5637 9997.6825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2791 9999.7455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.993610000.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.422610000.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.7079 9999.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4226 9998.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1371 9998.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8908 9998.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.4428 9999.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.0303 9999.9120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10002.2234 9999.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.1457 9997.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.9525 9997.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.5046 9998.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.2497 9999.0259    0.0000 C   0  0  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  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
  1 14  1  6  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  2  0  0  0  0
 19 20  1  0  0  0  0
 18 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 17 21  2  0  0  0  0
 24 18  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028962

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H24N4O3/c18-8-4-3-6-13(19)16(22)21-15(17(23)24)9-11-10-20-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,15,20H,3-4,6,8-9,18-19H2,(H,21,22)(H,23,24)/t13-,15-/m0/s1

> <INCHI_KEY>
RVKIPWVMZANZLI-ZFWWWQNUSA-N

> <FORMULA>
C17H24N4O3

> <MOLECULAR_WEIGHT>
332.404

> <EXACT_MASS>
332.184840649

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
35.49830861799023

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanoic acid

> <ALOGPS_LOGP>
-1.20

> <JCHEM_LOGP>
-1.8776183533987376

> <ALOGPS_LOGS>
-3.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.764870259065663

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7935604778021306

> <JCHEM_PKA_STRONGEST_BASIC>
10.212660030579086

> <JCHEM_POLAR_SURFACE_AREA>
134.23

> <JCHEM_REFRACTIVITY>
90.81240000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.34e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028962
     RDKit          3D
Lysyltryptophan
 48 49  0  0  0  0  0  0  0  0999 V2000
    3.3270    1.3312    1.6418 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594    1.2470    1.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2703   -0.1026    1.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9276   -0.5243   -0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4778   -0.6364   -0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -1.6413    0.5059 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3242   -2.9615    0.3169 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452   -1.6458    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8776   -2.7091   -0.4282 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5430   -0.4933    0.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8352   -0.5333   -0.3535 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6871   -0.4117    0.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1312   -0.3958    0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0097   -1.4761    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2320   -1.0336    0.3434 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2100    0.2986    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2387    1.1569   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9106    2.4937   -0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6215    2.9484   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6104    2.0772    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103    0.7201    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0891    0.3623   -1.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2026    1.1674   -1.8739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3052    0.3699   -2.1266 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391    1.4160    2.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0593    2.1917    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2372    2.0254    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1057    1.4279    2.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9046   -0.8383    2.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3809   -0.0717    1.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4020   -1.5044   -0.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3321    0.2323   -0.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9025    0.2928   -0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3886   -1.0764   -1.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8326   -1.4000    1.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9982   -3.3075   -0.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -3.5892    1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.3881    0.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969   -1.5989   -0.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4603   -1.3010    1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    0.4619    1.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6596   -2.4758    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0764   -1.6457    0.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2575    0.8220   -0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6803    3.1859   -0.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3630    3.9974   -0.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838    2.3824    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3943    0.3770   -3.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 11 22  1  0
 22 23  2  0
 22 24  1  0
 21 13  1  0
 21 16  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  1
  7 36  1  0
  7 37  1  0
 10 38  1  0
 11 39  1  6
 12 40  1  0
 12 41  1  0
 14 42  1  0
 15 43  1  0
 17 44  1  0
 18 45  1  0
 19 46  1  0
 20 47  1  0
 24 48  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    8667.9888664.650   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    8666.6558663.881   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    8665.3218664.650   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8663.9868663.881   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8662.6538664.650   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8661.3208663.881   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8659.9838664.650   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8658.6508663.881   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0    8657.3138664.650   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0    8663.9868662.341   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0    8665.3218666.192   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8666.6558666.962   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8669.3228666.962   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8667.9888666.192   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8669.3228663.881   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8670.6568664.650   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8672.0638664.024   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8673.0938665.169   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0    8672.3238666.502   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0    8670.8178666.182   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8672.5398662.560   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8674.0458662.239   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8675.0758663.384   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8674.5998664.848   0.000  0.00  0.00           C+0
CONECT    1    2   14   15                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    4                                                            
CONECT   11    3                                                            
CONECT   12   14                                                            
CONECT   13   14                                                            
CONECT   14   12   13    1                                                  
CONECT   15    1   16                                                       
CONECT   16   15   20   17                                                  
CONECT   17   16   18   21                                                  
CONECT   18   19   17   24                                                  
CONECT   19   20   18                                                       
CONECT   20   16   19                                                       
CONECT   21   22   17                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   18                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

COMPND    HMDB0028962
HETATM    1  N1  UNL     1       3.327   1.331   1.642  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.759   1.247   1.685  1.00  0.00           C  
HETATM    3  C2  UNL     1       5.270  -0.103   1.286  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.928  -0.524  -0.095  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.478  -0.636  -0.378  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.752  -1.641   0.506  1.00  0.00           C  
HETATM    7  N2  UNL     1       3.324  -2.962   0.317  1.00  0.00           N  
HETATM    8  C6  UNL     1       1.345  -1.646   0.040  1.00  0.00           C  
HETATM    9  O1  UNL     1       0.878  -2.709  -0.428  1.00  0.00           O  
HETATM   10  N3  UNL     1       0.543  -0.493   0.115  1.00  0.00           N  
HETATM   11  C7  UNL     1      -0.835  -0.533  -0.354  1.00  0.00           C  
HETATM   12  C8  UNL     1      -1.687  -0.412   0.860  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.131  -0.396   0.622  1.00  0.00           C  
HETATM   14  C10 UNL     1      -4.010  -1.476   0.644  1.00  0.00           C  
HETATM   15  N4  UNL     1      -5.232  -1.034   0.343  1.00  0.00           N  
HETATM   16  C11 UNL     1      -5.210   0.299   0.121  1.00  0.00           C  
HETATM   17  C12 UNL     1      -6.239   1.157  -0.200  1.00  0.00           C  
HETATM   18  C13 UNL     1      -5.911   2.494  -0.350  1.00  0.00           C  
HETATM   19  C14 UNL     1      -4.622   2.948  -0.188  1.00  0.00           C  
HETATM   20  C15 UNL     1      -3.610   2.077   0.132  1.00  0.00           C  
HETATM   21  C16 UNL     1      -3.910   0.720   0.290  1.00  0.00           C  
HETATM   22  C17 UNL     1      -1.089   0.362  -1.465  1.00  0.00           C  
HETATM   23  O2  UNL     1      -0.203   1.167  -1.874  1.00  0.00           O  
HETATM   24  O3  UNL     1      -2.305   0.370  -2.127  1.00  0.00           O  
HETATM   25  H1  UNL     1       2.939   1.416   2.608  1.00  0.00           H  
HETATM   26  H2  UNL     1       3.059   2.192   1.088  1.00  0.00           H  
HETATM   27  H3  UNL     1       5.237   2.025   1.028  1.00  0.00           H  
HETATM   28  H4  UNL     1       5.106   1.428   2.734  1.00  0.00           H  
HETATM   29  H5  UNL     1       4.905  -0.838   2.055  1.00  0.00           H  
HETATM   30  H6  UNL     1       6.381  -0.072   1.434  1.00  0.00           H  
HETATM   31  H7  UNL     1       5.402  -1.504  -0.325  1.00  0.00           H  
HETATM   32  H8  UNL     1       5.332   0.232  -0.834  1.00  0.00           H  
HETATM   33  H9  UNL     1       2.903   0.293  -0.371  1.00  0.00           H  
HETATM   34  H10 UNL     1       3.389  -1.076  -1.413  1.00  0.00           H  
HETATM   35  H11 UNL     1       2.833  -1.400   1.586  1.00  0.00           H  
HETATM   36  H12 UNL     1       2.998  -3.308  -0.614  1.00  0.00           H  
HETATM   37  H13 UNL     1       2.842  -3.589   1.028  1.00  0.00           H  
HETATM   38  H14 UNL     1       0.925   0.388   0.501  1.00  0.00           H  
HETATM   39  H15 UNL     1      -0.997  -1.599  -0.731  1.00  0.00           H  
HETATM   40  H16 UNL     1      -1.460  -1.301   1.519  1.00  0.00           H  
HETATM   41  H17 UNL     1      -1.388   0.462   1.499  1.00  0.00           H  
HETATM   42  H18 UNL     1      -3.660  -2.476   0.879  1.00  0.00           H  
HETATM   43  H19 UNL     1      -6.076  -1.646   0.291  1.00  0.00           H  
HETATM   44  H20 UNL     1      -7.257   0.822  -0.332  1.00  0.00           H  
HETATM   45  H21 UNL     1      -6.680   3.186  -0.599  1.00  0.00           H  
HETATM   46  H22 UNL     1      -4.363   3.997  -0.305  1.00  0.00           H  
HETATM   47  H23 UNL     1      -2.584   2.382   0.270  1.00  0.00           H  
HETATM   48  H24 UNL     1      -2.394   0.377  -3.144  1.00  0.00           H  
CONECT    1    2   25   26
CONECT    2    3   27   28
CONECT    3    4   29   30
CONECT    4    5   31   32
CONECT    5    6   33   34
CONECT    6    7    8   35
CONECT    7   36   37
CONECT    8    9    9   10
CONECT   10   11   38
CONECT   11   12   22   39
CONECT   12   13   40   41
CONECT   13   14   14   21
CONECT   14   15   42
CONECT   15   16   43
CONECT   16   17   17   21
CONECT   17   18   44
CONECT   18   19   19   45
CONECT   19   20   46
CONECT   20   21   21   47
CONECT   22   23   23   24
CONECT   24   48
END

HMDB0028962
     RDKit          3D
Lysyltryptophan
 48 49  0  0  0  0  0  0  0  0999 V2000
    3.3270    1.3312    1.6418 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594    1.2470    1.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2703   -0.1026    1.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9276   -0.5243   -0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4778   -0.6364   -0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7516   -1.6413    0.5059 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3242   -2.9615    0.3169 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452   -1.6458    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8776   -2.7091   -0.4282 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5430   -0.4933    0.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8352   -0.5333   -0.3535 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6871   -0.4117    0.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1312   -0.3958    0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0097   -1.4761    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2320   -1.0336    0.3434 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2100    0.2986    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2387    1.1569   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9106    2.4937   -0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6215    2.9484   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6104    2.0772    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103    0.7201    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0891    0.3623   -1.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2026    1.1674   -1.8739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3052    0.3699   -2.1266 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391    1.4160    2.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0593    2.1917    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2372    2.0254    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1057    1.4279    2.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9046   -0.8383    2.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3809   -0.0717    1.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4020   -1.5044   -0.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3321    0.2323   -0.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9025    0.2928   -0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3886   -1.0764   -1.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8326   -1.4000    1.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9982   -3.3075   -0.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -3.5892    1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    0.3881    0.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969   -1.5989   -0.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4603   -1.3010    1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875    0.4619    1.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6596   -2.4758    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0764   -1.6457    0.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2575    0.8220   -0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6803    3.1859   -0.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3630    3.9974   -0.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838    2.3824    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3943    0.3770   -3.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 11 22  1  0
 22 23  2  0
 22 24  1  0
 21 13  1  0
 21 16  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  1
  7 36  1  0
  7 37  1  0
 10 38  1  0
 11 39  1  6
 12 40  1  0
 12 41  1  0
 14 42  1  0
 15 43  1  0
 17 44  1  0
 18 45  1  0
 19 46  1  0
 20 47  1  0
 24 48  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
KW	ChEBI
L-Lys-L-TRP	ChEBI
L-Lysyl-L-tryptophan	ChEBI
Lysyl-tryptophan	ChEBI
N(2)-L-Tryptophyl-L-lysine	HMDB
N2-Tryptophyllysine, (D-tryptophyl-CPD)-isomer	HMDB
N2-Tryptophyllysine	HMDB
Adenosine triphosphate-accelerating peptide	HMDB
ATPase-accelerating peptide	HMDB
N2-TRP-Lys	HMDB
K-W Dipeptide	HMDB
KW Dipeptide	HMDB
Lys-TRP	HMDB
Lysine tryptophan dipeptide	HMDB
Lysine-tryptophan dipeptide	HMDB
N-L-Lysyl-L-tryptophan	HMDB
N-Lysyltryptophan	HMDB
Lysyltryptophan	ChEBI

Chemical Formula

C₁₇H₂₄N₄O₃

Average Molecular Weight

332.404

Monoisotopic Molecular Weight

332.184840649

IUPAC Name

(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanoic acid

Traditional Name

(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanoic acid

CAS Registry Number

50674-18-5

SMILES

NCCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O

InChI Identifier

InChI=1S/C17H24N4O3/c18-8-4-3-6-13(19)16(22)21-15(17(23)24)9-11-10-20-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,15,20H,3-4,6,8-9,18-19H2,(H,21,22)(H,23,24)/t13-,15-/m0/s1

InChI Key

RVKIPWVMZANZLI-ZFWWWQNUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Indolyl carboxylic acid derivative
Alpha-amino acid or derivatives
3-alkylindole
Indole or derivatives
Indole
N-acyl-amine
Substituted pyrrole
Fatty acyl
Benzenoid
Fatty amide
Heteroaromatic compound
Pyrrole
Secondary carboxylic acid amide
Amino acid
Carboxamide group
Amino acid or derivatives
Carboxylic acid
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Primary amine
Amine
Organic oxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Carbonyl group
Primary aliphatic amine
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

dipeptide (CHEBI:74569 )

Ontology

Not Available

Endogenous (HMDB: HMDB0028962)

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

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-1.81	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.33 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-1.9	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	3.79	ChemAxon
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	134.23 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	90.81 m³·mol⁻¹	ChemAxon
Polarizability	35.5 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M-2H]-	214.27	30932474
DeepCCS	[M+Na]+	190.019	30932474
AllCCS	[M+H]+	177.2	32859911
AllCCS	[M+H-H2O]+	174.5	32859911
AllCCS	[M+NH4]+	179.6	32859911
AllCCS	[M+Na]+	180.3	32859911
AllCCS	[M-H]-	179.2	32859911
AllCCS	[M+Na-2H]-	179.4	32859911
AllCCS	[M+HCOO]-	179.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Lysyltryptophan	NCCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O	4265.5	Standard polar	33892256
Lysyltryptophan	NCCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O	2860.4	Standard non polar	33892256
Lysyltryptophan	NCCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O	3406.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Lysyltryptophan,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN	3194.2	Semi standard non polar	33892256
Lysyltryptophan,1TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3333.2	Semi standard non polar	33892256
Lysyltryptophan,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3268.3	Semi standard non polar	33892256
Lysyltryptophan,1TMS,isomer #4	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3202.3	Semi standard non polar	33892256
Lysyltryptophan,1TMS,isomer #5	C[Si](C)(C)N1C=C(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)C2=CC=CC=C21	3275.5	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3231.5	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3142.6	Standard non polar	33892256
Lysyltryptophan,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3204.6	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3174.0	Standard non polar	33892256
Lysyltryptophan,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3261.5	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3174.1	Standard non polar	33892256
Lysyltryptophan,2TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3180.5	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3078.0	Standard non polar	33892256
Lysyltryptophan,2TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3288.8	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3130.2	Standard non polar	33892256
Lysyltryptophan,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN	3209.8	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN	3008.0	Standard non polar	33892256
Lysyltryptophan,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	3133.6	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	3069.6	Standard non polar	33892256
Lysyltryptophan,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3349.3	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3287.2	Standard non polar	33892256
Lysyltryptophan,2TMS,isomer #6	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3490.6	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #6	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3270.0	Standard non polar	33892256
Lysyltryptophan,2TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3268.8	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3214.2	Standard non polar	33892256
Lysyltryptophan,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3340.0	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3158.5	Standard non polar	33892256
Lysyltryptophan,2TMS,isomer #9	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3365.3	Semi standard non polar	33892256
Lysyltryptophan,2TMS,isomer #9	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3260.6	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3300.2	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3261.5	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3409.0	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3395.0	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3272.8	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3310.9	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3324.4	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3253.8	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #13	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3394.9	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #13	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3334.4	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #14	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3489.8	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #14	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3278.9	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3230.6	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3208.0	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #16	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3328.8	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #16	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3277.9	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #17	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3357.7	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #17	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3269.5	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3193.9	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3171.1	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	3300.2	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	3258.9	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3161.4	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3189.6	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3232.6	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3109.9	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	3415.3	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	3252.0	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3201.4	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3217.2	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3276.3	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3117.7	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	3143.0	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	3082.7	Standard non polar	33892256
Lysyltryptophan,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3453.7	Semi standard non polar	33892256
Lysyltryptophan,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3392.0	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3412.2	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3344.4	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3204.8	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3193.2	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #11	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3562.4	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #11	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3487.1	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3425.2	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3399.8	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3478.9	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3346.9	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #14	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3395.6	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #14	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3407.0	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3414.5	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3354.0	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3269.4	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3287.1	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3408.7	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3318.5	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3352.1	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3283.5	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3381.6	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3368.6	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3259.2	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3306.2	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3289.3	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3217.0	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	3308.2	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	3235.0	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3326.4	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3294.4	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3190.2	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3167.1	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	3422.1	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	3245.7	Standard non polar	33892256
Lysyltryptophan,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3360.3	Semi standard non polar	33892256
Lysyltryptophan,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3318.7	Standard non polar	33892256
Lysyltryptophan,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3555.6	Semi standard non polar	33892256
Lysyltryptophan,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3447.3	Standard non polar	33892256
Lysyltryptophan,5TMS,isomer #10	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3604.2	Semi standard non polar	33892256
Lysyltryptophan,5TMS,isomer #10	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3444.2	Standard non polar	33892256
Lysyltryptophan,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3472.4	Semi standard non polar	33892256
Lysyltryptophan,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3373.3	Standard non polar	33892256
Lysyltryptophan,5TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3415.9	Semi standard non polar	33892256
Lysyltryptophan,5TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3384.2	Standard non polar	33892256
Lysyltryptophan,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3415.8	Semi standard non polar	33892256
Lysyltryptophan,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3380.6	Standard non polar	33892256
Lysyltryptophan,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3449.6	Semi standard non polar	33892256
Lysyltryptophan,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3303.3	Standard non polar	33892256
Lysyltryptophan,5TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3412.8	Semi standard non polar	33892256
Lysyltryptophan,5TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3398.4	Standard non polar	33892256
Lysyltryptophan,5TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3390.8	Semi standard non polar	33892256
Lysyltryptophan,5TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3326.1	Standard non polar	33892256
Lysyltryptophan,5TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3268.6	Semi standard non polar	33892256
Lysyltryptophan,5TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3274.1	Standard non polar	33892256
Lysyltryptophan,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3361.0	Semi standard non polar	33892256
Lysyltryptophan,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3277.5	Standard non polar	33892256
Lysyltryptophan,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3392.0	Semi standard non polar	33892256
Lysyltryptophan,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3297.6	Standard non polar	33892256
Lysyltryptophan,5TMS,isomer #9	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3580.9	Semi standard non polar	33892256
Lysyltryptophan,5TMS,isomer #9	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3491.3	Standard non polar	33892256
Lysyltryptophan,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3595.8	Semi standard non polar	33892256
Lysyltryptophan,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3416.0	Standard non polar	33892256
Lysyltryptophan,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3609.4	Semi standard non polar	33892256
Lysyltryptophan,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3479.4	Standard non polar	33892256
Lysyltryptophan,6TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3448.3	Semi standard non polar	33892256
Lysyltryptophan,6TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3365.3	Standard non polar	33892256
Lysyltryptophan,6TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3442.8	Semi standard non polar	33892256
Lysyltryptophan,6TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3379.2	Standard non polar	33892256
Lysyltryptophan,6TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3636.6	Semi standard non polar	33892256
Lysyltryptophan,6TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3475.2	Standard non polar	33892256
Lysyltryptophan,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3662.6	Semi standard non polar	33892256
Lysyltryptophan,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3468.2	Standard non polar	33892256
Lysyltryptophan,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN	3488.3	Semi standard non polar	33892256
Lysyltryptophan,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3570.0	Semi standard non polar	33892256
Lysyltryptophan,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3515.9	Semi standard non polar	33892256
Lysyltryptophan,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3500.4	Semi standard non polar	33892256
Lysyltryptophan,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C=C(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)C2=CC=CC=C21	3508.5	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3745.9	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3544.0	Standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3742.8	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3568.8	Standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3725.7	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3540.7	Standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3694.8	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3466.1	Standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3788.7	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3527.0	Standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN	3703.7	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN	3408.2	Standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3713.5	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3476.9	Standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3819.1	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3670.7	Standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3986.6	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3618.1	Standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3795.9	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3593.7	Standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3796.6	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3520.4	Standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3868.2	Semi standard non polar	33892256
Lysyltryptophan,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3623.5	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3998.5	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3810.6	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4188.3	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3908.4	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4027.3	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3829.8	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3993.8	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3770.9	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	4145.9	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3829.1	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4161.3	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3776.5	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3939.3	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3716.6	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	4061.7	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3785.4	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4051.9	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3749.0	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3902.8	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3690.6	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4065.4	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3771.5	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3953.7	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3729.5	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3884.2	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3651.5	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4159.7	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3791.4	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3979.8	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3758.1	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3933.5	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3670.5	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3857.7	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3627.6	Standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	4192.1	Semi standard non polar	33892256
Lysyltryptophan,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O	3918.7	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4342.9	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4014.7	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4081.7	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3833.3	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4501.3	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4111.4	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4351.2	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4038.3	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4323.9	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3973.2	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4343.4	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4029.5	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4321.8	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3967.0	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4125.5	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3902.3	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4290.6	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3906.7	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4220.3	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3881.3	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4347.6	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4012.9	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4170.8	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3955.1	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4098.5	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3872.2	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4192.0	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3845.1	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4265.8	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3913.9	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4040.1	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3809.8	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4274.9	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3880.4	Standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4319.2	Semi standard non polar	33892256
Lysyltryptophan,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3948.3	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Lysyltryptophan GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysyltryptophan 10V, Negative-QTOF	splash10-001i-0009000000-425987752965630243bf	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysyltryptophan 20V, Negative-QTOF	splash10-001i-3739000000-066e87f454d1878f1277	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysyltryptophan 40V, Negative-QTOF	splash10-014i-1900000000-7b5c316c660d0c87b12c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysyltryptophan 10V, Positive-QTOF	splash10-001i-0019000000-270e63e19d468292dd84	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysyltryptophan 20V, Positive-QTOF	splash10-053i-7954000000-815ae1c1f79036aeabac	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysyltryptophan 40V, Positive-QTOF	splash10-0a59-9400000000-92150036c37519b48573	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

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

FDB111985

KNApSAcK ID

Not Available

Chemspider ID

3571970

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

4369395

PDB ID

Not Available

ChEBI ID

74569

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Lysyltryptophan (HMDB0028962)

MOL for HMDB0028962 (Lysyltryptophan)

3D MOL for HMDB0028962 (Lysyltryptophan)

3D SDF for HMDB0028962 (Lysyltryptophan)

3D-SDF for HMDB0028962 (Lysyltryptophan)

PDB for HMDB0028962 (Lysyltryptophan)

3D PDB for HMDB0028962 (Lysyltryptophan)

SMILES for HMDB0028962 (Lysyltryptophan)

INCHI for HMDB0028962 (Lysyltryptophan)

Structure for HMDB0028962 (Lysyltryptophan)

3D Structure for HMDB0028962 (Lysyltryptophan)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra