Molecule ID: 25202084

IUPAC Name: (2S)-2-azaniumyl-3-(4-phosphonatooxyphenyl)propanoate

Description: The molecule is an optically active form of O(4)-phosphonatotyrosine(2-) having L-configuration. It is a conjugate base of an O(4)-phospho-L-tyrosine. It is an enantiomer of an O(4)-phosphonato-D-tyrosine(2-).

SMILES: N[C@@H](Cc1ccc(OP(=O)([O-])O)cc1)C(=O)[O-]

SELFIES: [N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][=C][Ring1][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/p-2/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: -2.6