Molecule ID: 54389248

IUPAC Name: (2R)-2-acetamido-3-(2,3-dihydroxypropanoylsulfanyl)propanoic acid

Description: The molecule is an S-substituted N-acetyl-L-cysteine that is the thioester obtained by formal condensation of the carboxy group of glyceric acid with the thiol group of N-acetyl-L-cysteine. It is a S-substituted N-acetyl-L-cysteine and a thioester. It derives from a glyceric acid.

SMILES: CC(O)=N[C@@H](CSC(=O)C(O)CO)C(=O)O

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

InChI: InChI=1S/C8H13NO6S/c1-4(11)9-5(7(13)14)3-16-8(15)6(12)2-10/h5-6,10,12H,2-3H2,1H3,(H,9,11)(H,13,14)/t5-,6?/m0/s1

Molecular Properties:
- Polar Surface Area: 149.0 Ų
- LogP: -1.7