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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:39 UTC

Update Date

2021-09-14 15:46:37 UTC

HMDB ID

HMDB0029088

Secondary Accession Numbers

HMDB29088

Metabolite Identification

Common Name

Tryptophyl-Lysine

Description

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

Structure

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

HMDB0029088
     RDKit          3D
Tryptophyl-Lysine
 48 49  0  0  0  0  0  0  0  0999 V2000
    6.6871    0.9147   -0.4906 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1713   -0.2306   -1.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6673   -0.2732   -0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0265    1.0155   -1.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5549    0.9816   -1.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583    0.8079    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8132    0.7697    0.5532 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419   -0.3581    1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8071   -1.3919    1.2783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3258   -0.3717    1.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9188    0.8903    0.9665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -1.5549    0.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3785   -1.6973    0.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0491   -2.5544    1.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3766   -2.4030    1.4766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6105   -1.4708    0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7478   -0.9220   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7143    0.0378   -0.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4921    0.4672   -1.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3019   -0.0516   -0.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3732   -1.0209    0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    1.8850    1.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0548    2.6248    1.8009 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1574    2.1342    1.1693 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7410    1.7508   -1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6205    0.7375   -0.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871   -0.1624   -2.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6148   -1.1410   -0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5995   -0.3986    0.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -1.1040   -1.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5336    1.9074   -1.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2142    1.0269   -2.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1449    0.1417   -1.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0422    1.8847   -1.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6260   -0.2122    0.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957    1.6468    0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4429   -0.5233    2.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3938    1.6534    1.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8971    0.9609    1.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6145   -1.5225   -0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883   -2.4667    0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5209   -3.2213    2.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1262   -2.9232    2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6963   -1.2773    0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6043    0.4487   -1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3895    1.2190   -2.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3505    0.3022   -1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5705    3.0441    1.2890 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
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 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
  6 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  0
  7 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 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


  Mrv1652304062014192D          

 24 25  0  0  0  0            999 V2000
   -7.5706   -2.5593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8561   -2.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1416   -2.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4271   -2.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7127   -2.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9982   -2.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2837   -2.5593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5693   -2.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5693   -1.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8548   -2.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8548   -3.3843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1403   -2.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4258   -2.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3396   -3.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4674   -3.5513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8799   -2.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3278   -2.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -1.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897   -1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418   -1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868   -2.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9982   -1.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2837   -0.9093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7127   -0.9093    0.0000 O   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029088

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O

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

> <INCHI_KEY>
DZHDVYLBNKMLMB-UHFFFAOYSA-N

> <FORMULA>
C17H24N4O3

> <MOLECULAR_WEIGHT>
332.3975

> <EXACT_MASS>
332.184840654

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
35.566846841691024

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-amino-2-[2-amino-3-(1H-indol-3-yl)propanamido]hexanoic acid

> <ALOGPS_LOGP>
-1.21

> <JCHEM_LOGP>
-1.814760139853116

> <ALOGPS_LOGS>
-2.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.91936649636487

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7867433464631217

> <JCHEM_PKA_STRONGEST_BASIC>
10.207790055783875

> <JCHEM_POLAR_SURFACE_AREA>
134.23000000000002

> <JCHEM_REFRACTIVITY>
90.8124

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.56e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-amino-2-[2-amino-3-(1H-indol-3-yl)propanamido]hexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029088
     RDKit          3D
Tryptophyl-Lysine
 48 49  0  0  0  0  0  0  0  0999 V2000
    6.6871    0.9147   -0.4906 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1713   -0.2306   -1.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6673   -0.2732   -0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0265    1.0155   -1.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5549    0.9816   -1.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583    0.8079    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8132    0.7697    0.5532 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419   -0.3581    1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8071   -1.3919    1.2783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3258   -0.3717    1.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9188    0.8903    0.9665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -1.5549    0.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3785   -1.6973    0.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0491   -2.5544    1.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3766   -2.4030    1.4766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6105   -1.4708    0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7478   -0.9220   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7143    0.0378   -0.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4921    0.4672   -1.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3019   -0.0516   -0.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3732   -1.0209    0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    1.8850    1.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0548    2.6248    1.8009 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1574    2.1342    1.1693 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7410    1.7508   -1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6205    0.7375   -0.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871   -0.1624   -2.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6148   -1.1410   -0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5995   -0.3986    0.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -1.1040   -1.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5336    1.9074   -1.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2142    1.0269   -2.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1449    0.1417   -1.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0422    1.8847   -1.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6260   -0.2122    0.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957    1.6468    0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4429   -0.5233    2.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3938    1.6534    1.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8971    0.9609    1.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6145   -1.5225   -0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883   -2.4667    0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5209   -3.2213    2.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1262   -2.9232    2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6963   -1.2773    0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6043    0.4487   -1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3895    1.2190   -2.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3505    0.3022   -1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5705    3.0441    1.2890 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
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 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
  6 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  0
  7 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 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    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  N   UNK     0     -14.132  -4.777   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0     -12.798  -4.007   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -11.464  -4.777   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.131  -4.007   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.797  -4.777   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.463  -4.007   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -6.130  -4.777   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -4.796  -4.007   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -4.796  -2.467   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -3.462  -4.777   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -3.462  -6.317   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -2.129  -4.007   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.795  -4.777   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.634  -6.309   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       0.872  -6.629   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       1.642  -5.295   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.612  -4.151   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.088  -2.686   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.594  -2.366   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.625  -3.511   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.149  -4.975   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -7.463  -2.467   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -6.130  -1.697   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -8.797  -1.697   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   22                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   13   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   16                                                       
CONECT   22    6   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

COMPND    HMDB0029088
HETATM    1  N1  UNL     1       6.687   0.915  -0.491  1.00  0.00           N  
HETATM    2  C1  UNL     1       6.171  -0.231  -1.212  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.667  -0.273  -0.922  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.027   1.016  -1.409  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.555   0.982  -1.132  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.258   0.808   0.312  1.00  0.00           C  
HETATM    7  N2  UNL     1       0.813   0.770   0.553  1.00  0.00           N  
HETATM    8  C6  UNL     1       0.142  -0.358   1.037  1.00  0.00           C  
HETATM    9  O1  UNL     1       0.807  -1.392   1.278  1.00  0.00           O  
HETATM   10  C7  UNL     1      -1.326  -0.372   1.274  1.00  0.00           C  
HETATM   11  N3  UNL     1      -1.919   0.890   0.966  1.00  0.00           N  
HETATM   12  C8  UNL     1      -1.913  -1.555   0.582  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.379  -1.697   0.728  1.00  0.00           C  
HETATM   14  C10 UNL     1      -4.049  -2.554   1.609  1.00  0.00           C  
HETATM   15  N4  UNL     1      -5.377  -2.403   1.477  1.00  0.00           N  
HETATM   16  C11 UNL     1      -5.610  -1.471   0.534  1.00  0.00           C  
HETATM   17  C12 UNL     1      -6.748  -0.922  -0.010  1.00  0.00           C  
HETATM   18  C13 UNL     1      -6.714   0.038  -0.992  1.00  0.00           C  
HETATM   19  C14 UNL     1      -5.492   0.467  -1.449  1.00  0.00           C  
HETATM   20  C15 UNL     1      -4.302  -0.052  -0.936  1.00  0.00           C  
HETATM   21  C16 UNL     1      -4.373  -1.021   0.057  1.00  0.00           C  
HETATM   22  C17 UNL     1       2.804   1.885   1.119  1.00  0.00           C  
HETATM   23  O2  UNL     1       2.055   2.625   1.801  1.00  0.00           O  
HETATM   24  O3  UNL     1       4.157   2.134   1.169  1.00  0.00           O  
HETATM   25  H1  UNL     1       6.741   1.751  -1.126  1.00  0.00           H  
HETATM   26  H2  UNL     1       7.620   0.738  -0.065  1.00  0.00           H  
HETATM   27  H3  UNL     1       6.287  -0.162  -2.293  1.00  0.00           H  
HETATM   28  H4  UNL     1       6.615  -1.141  -0.761  1.00  0.00           H  
HETATM   29  H5  UNL     1       4.600  -0.399   0.175  1.00  0.00           H  
HETATM   30  H6  UNL     1       4.192  -1.104  -1.487  1.00  0.00           H  
HETATM   31  H7  UNL     1       4.534   1.907  -1.009  1.00  0.00           H  
HETATM   32  H8  UNL     1       4.214   1.027  -2.527  1.00  0.00           H  
HETATM   33  H9  UNL     1       2.145   0.142  -1.763  1.00  0.00           H  
HETATM   34  H10 UNL     1       2.042   1.885  -1.560  1.00  0.00           H  
HETATM   35  H11 UNL     1       2.626  -0.212   0.607  1.00  0.00           H  
HETATM   36  H12 UNL     1       0.296   1.647   0.340  1.00  0.00           H  
HETATM   37  H13 UNL     1      -1.443  -0.523   2.393  1.00  0.00           H  
HETATM   38  H14 UNL     1      -1.394   1.653   1.474  1.00  0.00           H  
HETATM   39  H15 UNL     1      -2.897   0.961   1.383  1.00  0.00           H  
HETATM   40  H16 UNL     1      -1.614  -1.522  -0.508  1.00  0.00           H  
HETATM   41  H17 UNL     1      -1.388  -2.467   0.971  1.00  0.00           H  
HETATM   42  H18 UNL     1      -3.521  -3.221   2.277  1.00  0.00           H  
HETATM   43  H19 UNL     1      -6.126  -2.923   2.017  1.00  0.00           H  
HETATM   44  H20 UNL     1      -7.696  -1.277   0.367  1.00  0.00           H  
HETATM   45  H21 UNL     1      -7.604   0.449  -1.399  1.00  0.00           H  
HETATM   46  H22 UNL     1      -5.390   1.219  -2.219  1.00  0.00           H  
HETATM   47  H23 UNL     1      -3.351   0.302  -1.320  1.00  0.00           H  
HETATM   48  H24 UNL     1       4.571   3.044   1.289  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   22   35
CONECT    7    8   36
CONECT    8    9    9   10
CONECT   10   11   12   37
CONECT   11   38   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

HMDB0029088
     RDKit          3D
Tryptophyl-Lysine
 48 49  0  0  0  0  0  0  0  0999 V2000
    6.6871    0.9147   -0.4906 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1713   -0.2306   -1.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6673   -0.2732   -0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0265    1.0155   -1.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5549    0.9816   -1.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583    0.8079    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8132    0.7697    0.5532 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419   -0.3581    1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8071   -1.3919    1.2783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3258   -0.3717    1.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9188    0.8903    0.9665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125   -1.5549    0.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3785   -1.6973    0.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0491   -2.5544    1.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3766   -2.4030    1.4766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6105   -1.4708    0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7478   -0.9220   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7143    0.0378   -0.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4921    0.4672   -1.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3019   -0.0516   -0.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3732   -1.0209    0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    1.8850    1.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0548    2.6248    1.8009 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1574    2.1342    1.1693 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7410    1.7508   -1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6205    0.7375   -0.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871   -0.1624   -2.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6148   -1.1410   -0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5995   -0.3986    0.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -1.1040   -1.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5336    1.9074   -1.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2142    1.0269   -2.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1449    0.1417   -1.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0422    1.8847   -1.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6260   -0.2122    0.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957    1.6468    0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4429   -0.5233    2.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3938    1.6534    1.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8971    0.9609    1.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6145   -1.5225   -0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883   -2.4667    0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5209   -3.2213    2.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1262   -2.9232    2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6963   -1.2773    0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6043    0.4487   -1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3895    1.2190   -2.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3505    0.3022   -1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5705    3.0441    1.2890 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
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 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
  6 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  0
  7 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 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
L-Tryptophyl-L-lysine	HMDB
TRP-Lys	HMDB
Tryptophan lysine dipeptide	HMDB
Tryptophan-lysine dipeptide	HMDB
Tryptophyllysine	HMDB
W-K Dipeptide	HMDB
WK Dipeptide	HMDB
6-Amino-2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}hexanoate	HMDB

Chemical Formula

C₁₇H₂₄N₄O₃

Average Molecular Weight

332.3975

Monoisotopic Molecular Weight

332.184840654

IUPAC Name

6-amino-2-[2-amino-3-(1H-indol-3-yl)propanamido]hexanoic acid

Traditional Name

6-amino-2-[2-amino-3-(1H-indol-3-yl)propanamido]hexanoic acid

CAS Registry Number

Not Available

SMILES

NCCCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O

InChI Identifier

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

InChI Key

DZHDVYLBNKMLMB-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

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

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-1.88	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.36 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-1.8	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	35.57 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
DarkChem	[M+H]+	178.429	31661259
DarkChem	[M-H]-	178.816	31661259
DeepCCS	[M+H]+	183.893	30932474
DeepCCS	[M-H]-	181.535	30932474
DeepCCS	[M-2H]-	214.421	30932474
DeepCCS	[M+Na]+	189.986	30932474
AllCCS	[M+H]+	177.9	32859911
AllCCS	[M+H-H2O]+	175.2	32859911
AllCCS	[M+NH4]+	180.4	32859911
AllCCS	[M+Na]+	181.2	32859911
AllCCS	[M-H]-	180.3	32859911
AllCCS	[M+Na-2H]-	180.6	32859911
AllCCS	[M+HCOO]-	181.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Tryptophyl-Lysine	NCCCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O	4267.3	Standard polar	33892256
Tryptophyl-Lysine	NCCCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O	2868.3	Standard non polar	33892256
Tryptophyl-Lysine	NCCCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O	3332.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Tryptophyl-Lysine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3168.7	Semi standard non polar	33892256
Tryptophyl-Lysine,1TMS,isomer #2	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O	3377.2	Semi standard non polar	33892256
Tryptophyl-Lysine,1TMS,isomer #3	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O	3276.8	Semi standard non polar	33892256
Tryptophyl-Lysine,1TMS,isomer #4	C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CCCCN)C(=O)O	3229.0	Semi standard non polar	33892256
Tryptophyl-Lysine,1TMS,isomer #5	C[Si](C)(C)N1C=C(CC(N)C(=O)NC(CCCCN)C(=O)O)C2=CC=CC=C21	3262.8	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3253.4	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3070.2	Standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #10	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O	3264.9	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #10	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O	3149.6	Standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #11	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	3200.7	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #11	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	3122.5	Standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CCCCN)C(=O)O	3187.4	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CCCCN)C(=O)O	3039.9	Standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #2	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	3181.5	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #2	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	3095.7	Standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3148.1	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3011.5	Standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	3171.6	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	2996.5	Standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #5	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O	3368.2	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #5	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O	3193.0	Standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #6	C[Si](C)(C)N(CCCCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3475.3	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #6	C[Si](C)(C)N(CCCCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3223.0	Standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #7	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3303.6	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #7	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3140.6	Standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #8	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3352.5	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #8	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3151.0	Standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #9	C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	3349.9	Semi standard non polar	33892256
Tryptophyl-Lysine,2TMS,isomer #9	C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	3208.9	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3252.5	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3187.6	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #10	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3272.0	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #10	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3254.3	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #11	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O	3325.1	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #11	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O	3225.6	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #12	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3433.0	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #12	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3317.4	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #13	C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3408.0	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #13	C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3274.8	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #14	C[Si](C)(C)N(CCCCC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3465.9	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #14	C[Si](C)(C)N(CCCCC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3284.9	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #15	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3252.3	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #15	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3161.7	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #16	C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	3359.2	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #16	C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	3256.3	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	3322.1	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	3248.1	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #18	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	3181.9	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #18	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	3150.3	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3383.1	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3214.7	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #3	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3217.8	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #3	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3143.6	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3224.3	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3091.5	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3276.1	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3228.0	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #6	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	3171.6	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #6	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	3098.7	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #7	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3150.7	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #7	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3146.0	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3112.6	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3052.5	Standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #9	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3446.6	Semi standard non polar	33892256
Tryptophyl-Lysine,3TMS,isomer #9	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3315.5	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #1	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3386.5	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #1	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3292.0	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #10	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3141.3	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #10	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3151.5	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #11	C[Si](C)(C)N(CCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3564.8	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #11	C[Si](C)(C)N(CCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3432.1	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #12	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3457.0	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #12	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3333.3	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #13	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3411.0	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #13	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3357.6	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #14	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3251.8	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #14	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3255.5	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #15	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3393.2	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #15	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3369.7	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #16	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3427.0	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #16	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3338.2	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #17	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3414.7	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #17	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3285.1	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	3343.4	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	3274.2	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #2	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3228.1	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #2	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3250.8	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #3	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3235.4	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #3	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3184.3	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3359.6	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3310.4	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3365.3	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3257.9	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	3387.0	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	3227.5	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #7	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3194.5	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #7	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3146.9	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3304.5	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3277.2	Standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3283.9	Semi standard non polar	33892256
Tryptophyl-Lysine,4TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3232.4	Standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3544.2	Semi standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3408.2	Standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #10	C[Si](C)(C)N(CCCCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3590.2	Semi standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #10	C[Si](C)(C)N(CCCCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3446.4	Standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #11	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3448.2	Semi standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #11	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3361.8	Standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #12	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3414.1	Semi standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #12	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3378.6	Standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #2	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3403.5	Semi standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #2	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3289.2	Standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #3	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3391.7	Semi standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #3	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3346.3	Standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #4	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3214.1	Semi standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #4	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3249.1	Standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #5	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3390.3	Semi standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #5	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3372.1	Standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #6	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3373.7	Semi standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #6	C[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3308.7	Standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3375.0	Semi standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3268.4	Standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3326.9	Semi standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3275.4	Standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3592.7	Semi standard non polar	33892256
Tryptophyl-Lysine,5TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3472.9	Standard non polar	33892256
Tryptophyl-Lysine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3596.7	Semi standard non polar	33892256
Tryptophyl-Lysine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3470.5	Standard non polar	33892256
Tryptophyl-Lysine,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3568.4	Semi standard non polar	33892256
Tryptophyl-Lysine,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3411.3	Standard non polar	33892256
Tryptophyl-Lysine,6TMS,isomer #3	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3411.5	Semi standard non polar	33892256
Tryptophyl-Lysine,6TMS,isomer #3	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3355.5	Standard non polar	33892256
Tryptophyl-Lysine,6TMS,isomer #4	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3420.5	Semi standard non polar	33892256
Tryptophyl-Lysine,6TMS,isomer #4	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3371.3	Standard non polar	33892256
Tryptophyl-Lysine,6TMS,isomer #5	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3640.3	Semi standard non polar	33892256
Tryptophyl-Lysine,6TMS,isomer #5	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3479.8	Standard non polar	33892256
Tryptophyl-Lysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3631.9	Semi standard non polar	33892256
Tryptophyl-Lysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3471.7	Standard non polar	33892256
Tryptophyl-Lysine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3496.4	Semi standard non polar	33892256
Tryptophyl-Lysine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O	3636.4	Semi standard non polar	33892256
Tryptophyl-Lysine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O	3531.3	Semi standard non polar	33892256
Tryptophyl-Lysine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CCCCN)C(=O)O	3528.7	Semi standard non polar	33892256
Tryptophyl-Lysine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C=C(CC(N)C(=O)NC(CCCCN)C(=O)O)C2=CC=CC=C21	3521.9	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3789.7	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3488.3	Standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O	3734.5	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O	3529.7	Standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3744.6	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3531.2	Standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CCCCN)C(=O)O	3716.1	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CCCCN)C(=O)O	3423.6	Standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3716.5	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3515.5	Standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3710.2	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3426.1	Standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3699.5	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3408.2	Standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O	3856.5	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O	3571.2	Standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3996.9	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3577.7	Standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3838.1	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3524.1	Standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3827.4	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3519.1	Standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3878.1	Semi standard non polar	33892256
Tryptophyl-Lysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3573.0	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3968.2	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3757.6	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4030.9	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3790.5	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O	4019.2	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O	3750.8	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4209.5	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3822.4	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4169.6	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3757.9	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4173.7	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3775.9	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3986.0	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3675.2	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	4073.0	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3740.1	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	4092.7	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	3767.0	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3912.3	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3687.9	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	4150.3	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3756.1	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3993.0	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3695.5	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3927.7	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3653.8	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4056.1	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3747.7	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3856.3	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3657.1	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3921.8	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3716.1	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3850.1	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3597.7	Standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4189.6	Semi standard non polar	33892256
Tryptophyl-Lysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3843.0	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4310.3	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3976.2	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4002.5	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3820.8	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4526.1	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4058.5	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4328.0	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3963.2	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4351.3	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4004.4	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4128.6	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3895.5	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4378.0	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4008.3	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4346.2	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3961.3	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4307.0	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3871.0	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	4245.4	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	3882.1	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4138.6	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3935.8	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4067.4	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3851.8	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4336.6	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3974.2	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	4307.6	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3893.0	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	4259.4	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3873.8	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	4079.7	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3804.6	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4260.8	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3911.5	Standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4172.2	Semi standard non polar	33892256
Tryptophyl-Lysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3852.9	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophyl-Lysine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a59-6910000000-49ac1b8c53684fa79849	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophyl-Lysine GC-MS (1 TMS) - 70eV, Positive	splash10-0a4i-3910000000-53e247f84a6646396414	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophyl-Lysine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophyl-Lysine 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 - Tryptophyl-Lysine 10V, Positive-QTOF	splash10-067r-0639000000-175247ce8719bde63868	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Lysine 20V, Positive-QTOF	splash10-0a4l-0911000000-fe25fc5a32c6eb3e1b35	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Lysine 40V, Positive-QTOF	splash10-001l-2900000000-eced0215821b3e906c62	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Lysine 10V, Negative-QTOF	splash10-001i-0129000000-89c975e45e515f049be7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Lysine 20V, Negative-QTOF	splash10-0gz1-0955000000-0731387bbe962b82076e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Lysine 40V, Negative-QTOF	splash10-002k-5900000000-9a0fb1924795aa82bc71	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Lysine 10V, Positive-QTOF	splash10-00lr-0229000000-19edb8f8286c02c223f2	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Lysine 20V, Positive-QTOF	splash10-00el-1970000000-a013bf64a3ca30f7bf70	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Lysine 40V, Positive-QTOF	splash10-0006-3900000000-5946a0c19a9b04e4ae3c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Lysine 10V, Negative-QTOF	splash10-001i-0029000000-9e78154b5d12ab379352	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Lysine 20V, Negative-QTOF	splash10-001i-5749000000-a3f23c23d76c04d56202	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Lysine 40V, Negative-QTOF	splash10-00kf-5910000000-645eeb3a04b36f08bff2	2021-09-23	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

FDB112092

KNApSAcK ID

Not Available

Chemspider ID

13747764

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

18799209

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Joshi S, Ghosh I, Pokhrel S, Madler L, Nau WM: Interactions of amino acids and polypeptides with metal oxide nanoparticles probed by fluorescent indicator adsorption and displacement. ACS Nano. 2012 Jun 26;6(6):5668-79. doi: 10.1021/nn301669t. Epub 2012 May 22. [PubMed:22591378 ]
Shine NR, James TL: Interactions of diastereomeric tripeptides of lysyl-5-fluorotryptophyllysine with DNA. 1. Optical and 19F NMR studies of native DNA complexes. Biochemistry. 1985 Jul 30;24(16):4333-41. [PubMed:4052400 ]
Shine NR, Bubienko E, James TL: Interactions of diastereomeric tripeptides of lysyl-5-fluorotryptophyllysine with DNA. 2. Optical, 19F NMR, and strand cleavage studies of apurinic DNA complexes. Biochemistry. 1985 Jul 30;24(16):4341-5. [PubMed:4052401 ]
Job GE, Kennedy RJ, Heitmann B, Miller JS, Walker SM, Kemp DS: Temperature- and length-dependent energetics of formation for polyalanine helices in water: assignment of w(Ala)(n,T) and temperature-dependent CD ellipticity standards. J Am Chem Soc. 2006 Jun 28;128(25):8227-33. [PubMed:16787087 ]

Showing metabocard for Tryptophyl-Lysine (HMDB0029088)

MOL for HMDB0029088 (Tryptophyl-Lysine)

3D MOL for HMDB0029088 (Tryptophyl-Lysine)

3D SDF for HMDB0029088 (Tryptophyl-Lysine)

3D-SDF for HMDB0029088 (Tryptophyl-Lysine)

PDB for HMDB0029088 (Tryptophyl-Lysine)

3D PDB for HMDB0029088 (Tryptophyl-Lysine)

SMILES for HMDB0029088 (Tryptophyl-Lysine)

INCHI for HMDB0029088 (Tryptophyl-Lysine)

Structure for HMDB0029088 (Tryptophyl-Lysine)

3D Structure for HMDB0029088 (Tryptophyl-Lysine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra