Molecule ID: 107904

IUPAC Name: 2-amino-3-[3-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanoic acid

Description: The molecule is a biphenyl compound comprising two tyrosine residues linked at carbon-3 of their benzene rings. It has a role as a biomarker. It is a member of biphenyls, a tyrosine derivative and a non-proteinogenic alpha-amino acid.

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

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

InChI: InChI=1S/C18H20N2O6/c19-13(17(23)24)7-9-1-3-15(21)11(5-9)12-6-10(2-4-16(12)22)8-14(20)18(25)26/h1-6,13-14,21-22H,7-8,19-20H2,(H,23,24)(H,25,26)

Molecular Properties:
- Polar Surface Area: 167.0 Ų
- LogP: -3.8