Molecule ID: 46937041

IUPAC Name: (2S)-2-amino-3-[2,4-dihydroxy-5-(2-phenylethylideneamino)phenyl]propanoic acid

Description: The molecule is an imine that is L-tyrosine bearing an additional hydroxy substituent at position 2 as well as a (2-phenylethylidene)amino substituent at position 5. It has a role as a metabolite. It is a L-tyrosine derivative, an imine and a non-proteinogenic L-alpha-amino acid. It derives from a 2-phenylethylamine.

SMILES: N[C@@H](Cc1cc(N=CCc2ccccc2)c(O)cc1O)C(=O)O

SELFIES: [N][C@@H1][Branch2][Ring1][O][C][C][=C][C][Branch1][N][N][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring1][S][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: -0.9