Molecule ID: 20848909

IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoate

Description: The molecule is a L-alpha-amino acid anion obtained by the deprotonation of the carboxy group of L-kynurenine. It has a role as a human metabolite. It is a kynureninate and a L-alpha-amino acid anion. It is a conjugate base of a L-kynurenine.

SMILES: Nc1ccccc1C(=O)C[C@H](N)C(=O)[O-]

SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O-1]

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)/p-1/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -1.4