Molecule ID: 28163197

IUPAC Name: (2S)-2-acetamido-4-methylsulfonylbutanoate

Description: The molecule is an N-acyl-L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-methionine sulfone, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a N-acetylmethionine sulfone.

SMILES: CC([O-])=N[C@@H](CCS(C)(=O)=O)C(=O)O

SELFIES: [C][C][Branch1][C][O-1][=N][C@@H1][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H13NO5S/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/p-1/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -0.4