Molecule ID: 53654133

IUPAC Name: (2R)-2-amino-3-methylsulfanylbutanedioic acid

Description: The molecule is a sulfur-containing amino acid that is L-aspartic acid substituted at position 3 by a methylthio group. It is a sulfur-containing amino acid, a L-aspartic acid derivative, a non-proteinogenic L-alpha-amino acid, an amino dicarboxylic acid, a C4-dicarboxylic acid and a methyl sulfide. It derives from a 3-thio-L-aspartic acid. It is a conjugate acid of a 3-methylthioaspartate(1-).

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

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

InChI: InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3?/m0/s1

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