Molecule ID: 14554236

IUPAC Name: 3-[3-[5-(2-carboxy-2-formamidoethyl)-2-hydroxyphenyl]-4-hydroxyphenyl]-2-formamidopropanoic acid

Description: The molecule is a member of biphenyls and a N-formyl amino acid. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a dityrosine.

SMILES: O=C(O)C(Cc1ccc(O)c(-c2cc(CC(N=CO)C(=O)O)ccc2O)c1)N=CO

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

InChI: InChI=1S/C20H20N2O8/c23-9-21-15(19(27)28)7-11-1-3-17(25)13(5-11)14-6-12(2-4-18(14)26)8-16(20(29)30)22-10-24/h1-6,9-10,15-16,25-26H,7-8H2,(H,21,23)(H,22,24)(H,27,28)(H,29,30)

Molecular Properties:
- Polar Surface Area: 173.0 Ų
- LogP: 1.3