D-kynurenine   

GtoPdb Ligand ID: 5799

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 106.41
Molecular weight 208.08
XLogP -2.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(CC(=O)c1ccccc1N)N
Isomeric SMILES OC(=O)[C@@H](CC(=O)c1ccccc1N)N
InChI InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m1/s1
InChI Key YGPSJZOEDVAXAB-MRVPVSSYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
Database Links
CAS Registry No. 13441-51-5
ChEMBL Ligand CHEMBL1233899
GtoPdb PubChem SID 178102424
PubChem CID 1152206
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