Molecule ID: 440744

IUPAC Name: 2-amino-4-(2-formamido-5-hydroxyphenyl)-4-oxobutanoic acid

Description: The molecule is a non-proteinogenic alpha-amino acid that is 5-hydroxykynurenine bearing an N-formyl substituent. It has a role as a human metabolite. It derives from a 5-hydroxykynurenine and a N-formylkynurenine.

SMILES: NC(CC(=O)c1cc(O)ccc1N=CO)C(=O)O

SELFIES: [N][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][=C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H12N2O5/c12-8(11(17)18)4-10(16)7-3-6(15)1-2-9(7)13-5-14/h1-3,5,8,15H,4,12H2,(H,13,14)(H,17,18)

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -2.7