Molecule ID: 17753927

IUPAC Name: (2S)-2-(carboxyamino)-4-methylsulfanylbutanoic acid

Description: The molecule is a non-proteinogenic L-alpha-amino acid that is L-methionine in which one of the hydrogens attached to the amino group bas been replaced by a carboxy group. It is a L-methionine derivative and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a N-carboxy-L-methionine(2-).

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

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

InChI: InChI=1S/C6H11NO4S/c1-12-3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 0.1