Molecule ID: 33755

IUPAC Name: (2S)-2-amino-3-(2,4,5-trihydroxyphenyl)propanoic acid

Description: The molecule is an L-alpha-amino acid that is L-dopa carrying an additional hydroxy substituent at position 6. It is a non-proteinogenic L-alpha-amino acid and a L-phenylalanine derivative. It derives from a L-dopa.

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

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

InChI: InChI=1S/C9H11NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11-13H,1,10H2,(H,14,15)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: -2.5