D-tryptophan   

GtoPdb Ligand ID: 5798

Compound class: Synthetic organic
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-/m1/s1
InChI Key QIVBCDIJIAJPQS-SECBINFHSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
Database Links
CAS Registry No. 153-94-6
ChEMBL Ligand CHEMBL292303
DrugBank Ligand DB03225
GtoPdb PubChem SID 178102423
PubChem CID 9060
RCSB PDB Ligand DTR
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