Molecule ID: 66643700

IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(sulfoamino)propanoic acid

Description: The molecule is an N-acyl-L-tyrosine obtained by replaceing one of the amino hydrogens with a sulfo group. It derives from a sulfamic acid.

SMILES: O=C(O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)O

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

InChI: InChI=1S/C9H11NO6S/c11-7-3-1-6(2-4-7)5-8(9(12)13)10-17(14,15)16/h1-4,8,10-11H,5H2,(H,12,13)(H,14,15,16)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: 0.1