Molecule ID: 193653

IUPAC Name: (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid

Description: The molecule is an L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a carboxymethyl group. It has a role as a mucolytic. It is a L-cysteine thioether and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a S-carboxylatomethyl-L-cysteine(1-).

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

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

InChI: InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: -3.1