L-tryptophan   

GtoPdb Ligand ID: 717

Abbreviated name: L-Trp
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 79.11
Molecular weight 204.09
XLogP -1.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(Cc1c[nH]c2c1cccc2)N
Isomeric SMILES OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N
InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChI Key QIVBCDIJIAJPQS-VIFPVBQESA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
International Nonproprietary Names
INN number INN
6173 tryptophan
Database Links
BindingDB Ligand 21974
BitterDB Ligand 827
CAS Registry No. 73-22-3 (source: DrugBank)
ChEBI CHEBI:16828
ChEMBL Ligand CHEMBL54976
DrugBank Ligand DB00150
DrugCentral Ligand 2780
GtoPdb PubChem SID 135651515
Immunopaedia Search tryptophan
PubChem CID 6305
RCSB PDB Ligand TRP
Search Google for chemical match using the InChIKey QIVBCDIJIAJPQS-VIFPVBQESA-N
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Search PubMed clinical trials tryptophan
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Search UniChem for chemical match using the InChIKey QIVBCDIJIAJPQS-VIFPVBQESA-N
Search UniChem for chemicals with the same backbone QIVBCDIJIAJPQS
Wikipedia Tryptophan