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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:45 UTC

Update Date

2021-09-14 15:37:03 UTC

HMDB ID

HMDB0029116

Secondary Accession Numbers

HMDB29116

Metabolite Identification

Common Name

Tyrosyl-Tryptophan

Description

Tyrosyl-Tryptophan is a dipeptide composed of tyrosine and tryptophan. 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


  Mrv1652304062014232D          

 27 29  0  0  0  0            999 V2000
    0.1565    0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3955    1.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1406    1.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6664    2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9635    0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9721    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8859    2.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0789    2.8106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010    2.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    3.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1155    3.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1155    1.4061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300    2.6436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5445    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5445    0.5811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2589    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9734    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6879    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4023    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4023    0.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1168    0.1686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6879    0.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9734    0.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 21 27  1  0  0  0  0
M  END

HMDB0029116
     RDKit          3D
Tyrosyl-Tryptophan
 48 50  0  0  0  0  0  0  0  0999 V2000
    2.4917    1.4636   -0.1630 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348    0.0654   -0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930   -0.8247    0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5922   -0.4972   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2507   -1.1506   -1.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5554   -0.8259   -1.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2612    0.1295   -0.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875    0.4380   -1.0159 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6180    0.7764    0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3023    0.4523    0.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8337   -0.2691   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4062   -1.4230   -0.3898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0628    0.6889    0.3775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361    0.3931    0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867    1.2055   -0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7976    0.9164    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6376    1.7227    0.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8489    1.1060    0.9244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8093   -0.0590    0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7787   -1.0152    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4856   -2.1624   -0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2152   -2.2977   -1.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2475   -1.3392   -0.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5229   -0.1870   -0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6898    0.5547    2.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596    0.9095    2.8866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9364    0.3281    2.6765 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8281    2.0456   -0.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522    1.6875   -0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688   -0.0988   -1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9786   -1.8791    0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034   -0.6538    1.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6851   -1.9090   -1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0575   -1.3498   -2.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0179   -0.0638   -1.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1649    1.5432    0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8272    0.9927    1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945    1.6500    0.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6066   -0.6875    0.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1267    2.2788    0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2116    1.0463   -1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4177    2.6917    1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6679    1.5304    1.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7793   -0.9280    0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2572   -2.9025   -0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9923   -3.2082   -1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2580   -1.4654   -1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1727    0.5808    3.6257 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 14 25  1  0
 25 26  2  0
 25 27  1  0
 10  4  1  0
 24 16  1  0
 24 19  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  5 33  1  0
  6 34  1  0
  8 35  1  0
  9 36  1  0
 10 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 15 41  1  0
 17 42  1  0
 18 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 27 48  1  0
M  END


  Mrv1652304062014232D          

 27 29  0  0  0  0            999 V2000
    0.1565    0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3955    1.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1406    1.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6664    2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9635    0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9721    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8859    2.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0789    2.8106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010    2.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    3.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1155    3.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1155    1.4061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300    2.6436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5445    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5445    0.5811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2589    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9734    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6879    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4023    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4023    0.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1168    0.1686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6879    0.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9734    0.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 21 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029116

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H21N3O4/c21-16(9-12-5-7-14(24)8-6-12)19(25)23-18(20(26)27)10-13-11-22-17-4-2-1-3-15(13)17/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)

> <INCHI_KEY>
BMPPMAOOKQJYIP-UHFFFAOYSA-N

> <FORMULA>
C20H21N3O4

> <MOLECULAR_WEIGHT>
367.3984

> <EXACT_MASS>
367.153206175

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
38.64005344321646

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

> <ALOGPS_LOGP>
-0.28

> <JCHEM_LOGP>
-0.27192043992482556

> <ALOGPS_LOGS>
-3.85

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.518595826996908

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7181253817741275

> <JCHEM_PKA_STRONGEST_BASIC>
8.02069388088229

> <JCHEM_POLAR_SURFACE_AREA>
128.44

> <JCHEM_REFRACTIVITY>
100.10010000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.18e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029116
     RDKit          3D
Tyrosyl-Tryptophan
 48 50  0  0  0  0  0  0  0  0999 V2000
    2.4917    1.4636   -0.1630 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348    0.0654   -0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930   -0.8247    0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5922   -0.4972   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2507   -1.1506   -1.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5554   -0.8259   -1.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2612    0.1295   -0.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875    0.4380   -1.0159 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6180    0.7764    0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3023    0.4523    0.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8337   -0.2691   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4062   -1.4230   -0.3898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0628    0.6889    0.3775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361    0.3931    0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867    1.2055   -0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7976    0.9164    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6376    1.7227    0.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8489    1.1060    0.9244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8093   -0.0590    0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7787   -1.0152    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4856   -2.1624   -0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2152   -2.2977   -1.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2475   -1.3392   -0.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5229   -0.1870   -0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6898    0.5547    2.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596    0.9095    2.8866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9364    0.3281    2.6765 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8281    2.0456   -0.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522    1.6875   -0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688   -0.0988   -1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9786   -1.8791    0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034   -0.6538    1.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6851   -1.9090   -1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0575   -1.3498   -2.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0179   -0.0638   -1.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1649    1.5432    0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8272    0.9927    1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945    1.6500    0.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6066   -0.6875    0.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1267    2.2788    0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2116    1.0463   -1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4177    2.6917    1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6679    1.5304    1.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7793   -0.9280    0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2572   -2.9025   -0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9923   -3.2082   -1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2580   -1.4654   -1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1727    0.5808    3.6257 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 14 25  1  0
 25 26  2  0
 25 27  1  0
 10  4  1  0
 24 16  1  0
 24 19  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  5 33  1  0
  6 34  1  0
  8 35  1  0
  9 36  1  0
 10 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 15 41  1  0
 17 42  1  0
 18 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 27 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  C   UNK     0       0.292   0.984   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.738   2.128   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.262   3.593   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.244   3.913   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.274   2.768   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.799   1.304   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.681   3.395   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.520   4.926   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       2.014   5.246   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       5.015   2.625   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.349   3.395   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.349   4.935   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       5.015   5.705   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       7.682   5.705   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       7.682   2.625   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       9.016   3.395   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       9.016   4.935   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      10.350   2.625   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      10.350   1.085   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      11.683   3.395   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.017   2.625   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.351   3.395   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      15.684   2.625   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      15.684   1.085   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      17.018   0.315   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      14.351   0.315   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.017   1.085   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8    4                                                       
CONECT   10    7   11                                                       
CONECT   11   10   12   15                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   11   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   27                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   21                                                       
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

COMPND    HMDB0029116
HETATM    1  N1  UNL     1       2.492   1.464  -0.163  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.235   0.065  -0.484  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.193  -0.825   0.311  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.592  -0.497  -0.033  1.00  0.00           C  
HETATM    5  C4  UNL     1       5.251  -1.151  -1.079  1.00  0.00           C  
HETATM    6  C5  UNL     1       6.555  -0.826  -1.378  1.00  0.00           C  
HETATM    7  C6  UNL     1       7.261   0.130  -0.688  1.00  0.00           C  
HETATM    8  O1  UNL     1       8.587   0.438  -1.016  1.00  0.00           O  
HETATM    9  C7  UNL     1       6.618   0.776   0.343  1.00  0.00           C  
HETATM   10  C8  UNL     1       5.302   0.452   0.649  1.00  0.00           C  
HETATM   11  C9  UNL     1       0.834  -0.269  -0.172  1.00  0.00           C  
HETATM   12  O2  UNL     1       0.406  -1.423  -0.390  1.00  0.00           O  
HETATM   13  N2  UNL     1      -0.063   0.689   0.377  1.00  0.00           N  
HETATM   14  C10 UNL     1      -1.436   0.393   0.692  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.387   1.205  -0.164  1.00  0.00           C  
HETATM   16  C12 UNL     1      -3.798   0.916   0.143  1.00  0.00           C  
HETATM   17  C13 UNL     1      -4.638   1.723   0.865  1.00  0.00           C  
HETATM   18  N3  UNL     1      -5.849   1.106   0.924  1.00  0.00           N  
HETATM   19  C14 UNL     1      -5.809  -0.059   0.268  1.00  0.00           C  
HETATM   20  C15 UNL     1      -6.779  -1.015   0.060  1.00  0.00           C  
HETATM   21  C16 UNL     1      -6.486  -2.162  -0.670  1.00  0.00           C  
HETATM   22  C17 UNL     1      -5.215  -2.298  -1.163  1.00  0.00           C  
HETATM   23  C18 UNL     1      -4.248  -1.339  -0.953  1.00  0.00           C  
HETATM   24  C19 UNL     1      -4.523  -0.187  -0.227  1.00  0.00           C  
HETATM   25  C20 UNL     1      -1.690   0.555   2.122  1.00  0.00           C  
HETATM   26  O3  UNL     1      -0.760   0.909   2.887  1.00  0.00           O  
HETATM   27  O4  UNL     1      -2.936   0.328   2.676  1.00  0.00           O  
HETATM   28  H1  UNL     1       1.828   2.046  -0.723  1.00  0.00           H  
HETATM   29  H2  UNL     1       3.452   1.688  -0.544  1.00  0.00           H  
HETATM   30  H3  UNL     1       2.469  -0.099  -1.546  1.00  0.00           H  
HETATM   31  H4  UNL     1       2.979  -1.879   0.019  1.00  0.00           H  
HETATM   32  H5  UNL     1       3.003  -0.654   1.393  1.00  0.00           H  
HETATM   33  H6  UNL     1       4.685  -1.909  -1.624  1.00  0.00           H  
HETATM   34  H7  UNL     1       7.057  -1.350  -2.203  1.00  0.00           H  
HETATM   35  H8  UNL     1       9.018  -0.064  -1.781  1.00  0.00           H  
HETATM   36  H9  UNL     1       7.165   1.543   0.907  1.00  0.00           H  
HETATM   37  H10 UNL     1       4.827   0.993   1.478  1.00  0.00           H  
HETATM   38  H11 UNL     1       0.294   1.650   0.560  1.00  0.00           H  
HETATM   39  H12 UNL     1      -1.607  -0.688   0.419  1.00  0.00           H  
HETATM   40  H13 UNL     1      -2.127   2.279   0.023  1.00  0.00           H  
HETATM   41  H14 UNL     1      -2.212   1.046  -1.241  1.00  0.00           H  
HETATM   42  H15 UNL     1      -4.418   2.692   1.327  1.00  0.00           H  
HETATM   43  H16 UNL     1      -6.668   1.530   1.429  1.00  0.00           H  
HETATM   44  H17 UNL     1      -7.779  -0.928   0.439  1.00  0.00           H  
HETATM   45  H18 UNL     1      -7.257  -2.903  -0.824  1.00  0.00           H  
HETATM   46  H19 UNL     1      -4.992  -3.208  -1.740  1.00  0.00           H  
HETATM   47  H20 UNL     1      -3.258  -1.465  -1.349  1.00  0.00           H  
HETATM   48  H21 UNL     1      -3.173   0.581   3.626  1.00  0.00           H  
CONECT    1    2   28   29
CONECT    2    3   11   30
CONECT    3    4   31   32
CONECT    4    5    5   10
CONECT    5    6   33
CONECT    6    7    7   34
CONECT    7    8    9
CONECT    8   35
CONECT    9   10   10   36
CONECT   10   37
CONECT   11   12   12   13
CONECT   13   14   38
CONECT   14   15   25   39
CONECT   15   16   40   41
CONECT   16   17   17   24
CONECT   17   18   42
CONECT   18   19   43
CONECT   19   20   20   24
CONECT   20   21   44
CONECT   21   22   22   45
CONECT   22   23   46
CONECT   23   24   24   47
CONECT   25   26   26   27
CONECT   27   48
END

HMDB0029116
     RDKit          3D
Tyrosyl-Tryptophan
 48 50  0  0  0  0  0  0  0  0999 V2000
    2.4917    1.4636   -0.1630 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348    0.0654   -0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930   -0.8247    0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5922   -0.4972   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2507   -1.1506   -1.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5554   -0.8259   -1.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2612    0.1295   -0.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875    0.4380   -1.0159 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6180    0.7764    0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3023    0.4523    0.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8337   -0.2691   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4062   -1.4230   -0.3898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0628    0.6889    0.3775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361    0.3931    0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867    1.2055   -0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7976    0.9164    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6376    1.7227    0.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8489    1.1060    0.9244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8093   -0.0590    0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7787   -1.0152    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4856   -2.1624   -0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2152   -2.2977   -1.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2475   -1.3392   -0.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5229   -0.1870   -0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6898    0.5547    2.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596    0.9095    2.8866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9364    0.3281    2.6765 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8281    2.0456   -0.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522    1.6875   -0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688   -0.0988   -1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9786   -1.8791    0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034   -0.6538    1.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6851   -1.9090   -1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0575   -1.3498   -2.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0179   -0.0638   -1.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1649    1.5432    0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8272    0.9927    1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945    1.6500    0.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6066   -0.6875    0.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1267    2.2788    0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2116    1.0463   -1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4177    2.6917    1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6679    1.5304    1.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7793   -0.9280    0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2572   -2.9025   -0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9923   -3.2082   -1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2580   -1.4654   -1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1727    0.5808    3.6257 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 14 25  1  0
 25 26  2  0
 25 27  1  0
 10  4  1  0
 24 16  1  0
 24 19  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  5 33  1  0
  6 34  1  0
  8 35  1  0
  9 36  1  0
 10 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 15 41  1  0
 17 42  1  0
 18 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 27 48  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
L-Tyrosyl-L-tryptophan	HMDB
Tyr-TRP	HMDB
Tyrosine tryptophan dipeptide	HMDB
Tyrosine-tryptophan dipeptide	HMDB
Tyrosyltryptophan	HMDB
Y-W dipeptide	HMDB
YW dipeptide	HMDB
2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-(1H-indol-3-yl)propanoate	HMDB

Chemical Formula

C₂₀H₂₁N₃O₄

Average Molecular Weight

367.3984

Monoisotopic Molecular Weight

367.153206175

IUPAC Name

2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

Traditional Name

2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

CAS Registry Number

Not Available

SMILES

NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O

InChI Identifier

InChI=1S/C20H21N3O4/c21-16(9-12-5-7-14(24)8-6-12)19(25)23-18(20(26)27)10-13-11-22-17-4-2-1-3-15(13)17/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)

InChI Key

BMPPMAOOKQJYIP-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
Tyrosine or derivatives
Phenylalanine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Indolyl carboxylic acid derivative
3-alkylindole
Alpha-amino acid or derivatives
Amphetamine or derivatives
Indole or derivatives
Indole
Aralkylamine
1-hydroxy-2-unsubstituted benzenoid
Phenol
Substituted pyrrole
Fatty acyl
Benzenoid
Fatty amide
Monocyclic benzene moiety
Heteroaromatic compound
Pyrrole
Amino acid or derivatives
Carboxamide group
Secondary carboxylic acid amide
Amino acid
Carboxylic acid
Organoheterocyclic compound
Azacycle
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxygen compound
Primary amine
Organonitrogen compound
Carbonyl group
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Amine
Primary aliphatic amine
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

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	-0.27	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.052 g/L	ALOGPS
logP	-0.28	ALOGPS
logP	-0.27	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	3.72	ChemAxon
pKa (Strongest Basic)	8.02	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	128.44 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	100.1 m³·mol⁻¹	ChemAxon
Polarizability	38.64 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	186.175	31661259
DarkChem	[M-H]-	184.017	31661259
DeepCCS	[M-2H]-	214.262	30932474
DeepCCS	[M+Na]+	189.994	30932474
AllCCS	[M+H]+	188.7	32859911
AllCCS	[M+H-H2O]+	186.0	32859911
AllCCS	[M+NH4]+	191.3	32859911
AllCCS	[M+Na]+	192.0	32859911
AllCCS	[M-H]-	187.0	32859911
AllCCS	[M+Na-2H]-	187.0	32859911
AllCCS	[M+HCOO]-	187.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Tyrosyl-Tryptophan	NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	4765.7	Standard polar	33892256
Tyrosyl-Tryptophan	NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	2788.7	Standard non polar	33892256
Tyrosyl-Tryptophan	NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O	3888.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Tyrosyl-Tryptophan,1TMS,isomer #1	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)O)C=C1	3631.1	Semi standard non polar	33892256
Tyrosyl-Tryptophan,1TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(N)CC1=CC=C(O)C=C1	3619.7	Semi standard non polar	33892256
Tyrosyl-Tryptophan,1TMS,isomer #3	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O	3653.0	Semi standard non polar	33892256
Tyrosyl-Tryptophan,1TMS,isomer #4	C[Si](C)(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O	3651.7	Semi standard non polar	33892256
Tyrosyl-Tryptophan,1TMS,isomer #5	C[Si](C)(C)N1C=C(CC(NC(=O)C(N)CC2=CC=C(O)C=C2)C(=O)O)C2=CC=CC=C21	3676.5	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1	3521.2	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3648.7	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TMS,isomer #11	C[Si](C)(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3594.5	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TMS,isomer #2	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O	3594.1	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(C(CC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)C=C1	3571.0	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TMS,isomer #4	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NC(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)C=C1	3643.9	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TMS,isomer #5	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3556.3	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TMS,isomer #6	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=CC=C(O)C=C1	3568.4	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TMS,isomer #7	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	3519.3	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TMS,isomer #8	C[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3766.3	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TMS,isomer #9	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3565.8	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #1	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3530.1	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #1	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3263.3	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3515.2	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3291.8	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #11	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	3475.6	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #11	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	3297.2	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #12	C[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O	3674.3	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #12	C[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O	3517.3	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #13	C[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3710.8	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #13	C[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3491.2	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #14	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3535.8	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #14	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3420.8	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1	3537.0	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1	3176.8	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3524.6	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3264.9	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(CC(C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	3689.2	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(CC(C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	3428.4	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #5	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3548.1	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #5	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3367.4	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #6	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3597.2	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #6	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3327.3	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #7	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(C(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)C=C1	3544.0	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #7	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(C(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)C=C1	3292.1	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	3641.5	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	3425.8	Standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #9	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3489.8	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TMS,isomer #9	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3373.5	Standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C	3628.6	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C	3381.1	Standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3489.4	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3350.9	Standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #11	C[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3689.3	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #11	C[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3523.4	Standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #2	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3543.5	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #2	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3326.3	Standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #3	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3528.4	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #3	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3244.0	Standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3500.3	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3239.6	Standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(C(CC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	3696.5	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(C(CC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	3477.0	Standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(CC(C(=O)NC(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	3701.8	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(CC(C(=O)NC(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	3428.6	Standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3545.6	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3352.6	Standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	3635.7	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	3416.3	Standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #9	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3642.1	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TMS,isomer #9	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3488.6	Standard non polar	33892256
Tyrosyl-Tryptophan,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C	3643.9	Semi standard non polar	33892256
Tyrosyl-Tryptophan,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C	3360.4	Standard non polar	33892256
Tyrosyl-Tryptophan,5TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3703.1	Semi standard non polar	33892256
Tyrosyl-Tryptophan,5TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3447.7	Standard non polar	33892256
Tyrosyl-Tryptophan,5TMS,isomer #3	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3523.1	Semi standard non polar	33892256
Tyrosyl-Tryptophan,5TMS,isomer #3	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3312.2	Standard non polar	33892256
Tyrosyl-Tryptophan,5TMS,isomer #4	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(C(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	3728.4	Semi standard non polar	33892256
Tyrosyl-Tryptophan,5TMS,isomer #4	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(C(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	3464.8	Standard non polar	33892256
Tyrosyl-Tryptophan,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3669.3	Semi standard non polar	33892256
Tyrosyl-Tryptophan,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3473.6	Standard non polar	33892256
Tyrosyl-Tryptophan,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3726.3	Semi standard non polar	33892256
Tyrosyl-Tryptophan,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3433.0	Standard non polar	33892256
Tyrosyl-Tryptophan,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)O)C=C1	3944.4	Semi standard non polar	33892256
Tyrosyl-Tryptophan,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(N)CC1=CC=C(O)C=C1	3943.8	Semi standard non polar	33892256
Tyrosyl-Tryptophan,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O	3927.8	Semi standard non polar	33892256
Tyrosyl-Tryptophan,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O	3946.6	Semi standard non polar	33892256
Tyrosyl-Tryptophan,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C=C(CC(NC(=O)C(N)CC2=CC=C(O)C=C2)C(=O)O)C2=CC=CC=C21	3936.9	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	4128.1	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4109.1	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CC=C(O)C=C1)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4134.6	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O	4150.8	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(C(CC2=C[NH]C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4164.0	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NC(CC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)C=C1	4174.6	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4095.2	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=CC=C(O)C=C1	4103.0	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4104.3	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4257.8	Semi standard non polar	33892256
Tyrosyl-Tryptophan,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4140.9	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4271.4	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3864.3	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4183.7	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3843.8	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4228.6	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	3823.0	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O	4439.9	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O	4014.4	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4450.9	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3952.4	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4276.9	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3923.2	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	4248.8	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	3737.7	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4319.4	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3837.4	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4515.0	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	3947.5	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4358.6	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3929.2	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4287.1	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3850.2	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(C(CC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	4325.7	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(C(CC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)[Si](C)(C)C(C)(C)C)C=C1	3787.9	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4413.9	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3960.4	Standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4257.2	Semi standard non polar	33892256
Tyrosyl-Tryptophan,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3955.4	Standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4632.9	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4067.9	Standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(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	4320.2	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(C(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	4027.0	Standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4602.1	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	4120.7	Standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4474.4	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4063.4	Standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	4350.5	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3924.9	Standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4400.2	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	3897.0	Standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N(C(CC2=C[NH]C3=CC=CC=C23)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)C=C1	4690.5	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)N(C(CC2=C[NH]C3=CC=CC=C23)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)C=C1	4133.1	Standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)NC(CC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4656.2	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)NC(CC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4036.5	Standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4440.7	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4000.2	Standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4509.3	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4045.6	Standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4591.4	Semi standard non polar	33892256
Tyrosyl-Tryptophan,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4168.2	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Tyrosyl-Tryptophan GC-MS (Non-derivatized) - 70eV, Positive	splash10-0019-2921000000-ef2f242ddb7c146c4b93	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyrosyl-Tryptophan GC-MS (2 TMS) - 70eV, Positive	splash10-000l-2916200000-a4da82a6cbe3bbb9ad2e	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyrosyl-Tryptophan 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 - Tyrosyl-Tryptophan 10V, Positive-QTOF	splash10-0gbi-0709000000-3caef80cf8bfb3389905	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tyrosyl-Tryptophan 20V, Positive-QTOF	splash10-05n0-0901000000-3ae29944b1770d8abca4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tyrosyl-Tryptophan 40V, Positive-QTOF	splash10-0a59-1900000000-3968f4dd926a0e3332ec	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tyrosyl-Tryptophan 10V, Negative-QTOF	splash10-014i-0019000000-f1cbcb1728378f32b5ef	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tyrosyl-Tryptophan 20V, Negative-QTOF	splash10-0g70-1968000000-ff633d4604e2d2908c51	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tyrosyl-Tryptophan 40V, Negative-QTOF	splash10-0mvi-4920000000-2c077cc0415210e8473e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tyrosyl-Tryptophan 10V, Negative-QTOF	splash10-014i-0009000000-4f1b988434c077f49bb3	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tyrosyl-Tryptophan 20V, Negative-QTOF	splash10-066r-1964000000-1cdcb89e6bd0c5f3c20f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tyrosyl-Tryptophan 40V, Negative-QTOF	splash10-014i-2920000000-864c28f40820abd6f3cc	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tyrosyl-Tryptophan 10V, Positive-QTOF	splash10-014i-0209000000-ef4c89fd44f564d10613	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tyrosyl-Tryptophan 20V, Positive-QTOF	splash10-052r-0902000000-69571c1c164dd520718a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tyrosyl-Tryptophan 40V, Positive-QTOF	splash10-060d-3900000000-17943430d061abc2838c	2021-09-24	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

FDB112119

KNApSAcK ID

Not Available

Chemspider ID

16568407

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14475583

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

Not Available

Showing metabocard for Tyrosyl-Tryptophan (HMDB0029116)

MOL for HMDB0029116 (Tyrosyl-Tryptophan)

3D MOL for HMDB0029116 (Tyrosyl-Tryptophan)

3D SDF for HMDB0029116 (Tyrosyl-Tryptophan)

3D-SDF for HMDB0029116 (Tyrosyl-Tryptophan)

PDB for HMDB0029116 (Tyrosyl-Tryptophan)

3D PDB for HMDB0029116 (Tyrosyl-Tryptophan)

SMILES for HMDB0029116 (Tyrosyl-Tryptophan)

INCHI for HMDB0029116 (Tyrosyl-Tryptophan)

Structure for HMDB0029116 (Tyrosyl-Tryptophan)

3D Structure for HMDB0029116 (Tyrosyl-Tryptophan)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra