Molecule ID: 49866837

IUPAC Name: (2R)-2-amino-3-(2-aminobenzoyl)sulfanylpropanoic acid

Description: The molecule is an L-cysteine derivative obtained by formal condensation of the carboxy group of anthranilic acid with the side-chain thiol group of L-cysteine. It is a L-cysteine derivative, a thioester and a non-proteinogenic L-alpha-amino acid. It derives from an anthranilic acid.

SMILES: Nc1ccccc1C(=O)SC[C@H](N)C(=O)O

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

InChI: InChI=1S/C10H12N2O3S/c11-7-4-2-1-3-6(7)10(15)16-5-8(12)9(13)14/h1-4,8H,5,11-12H2,(H,13,14)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -1.4