Molecule ID: 15703351

IUPAC Name: (2S)-2-acetamido-4-methylsulfonylbutanoic acid

Description: The molecule is an N-acyl-L-alpha-amino acid that is N-acetylmethionine where the sulfur is oxidised to the corresponding sulfone. It is a N-acyl-L-alpha-amino acid, a L-methionine derivative, a sulfone and a N-acetyl-L-amino acid. It is a conjugate acid of a N-acetylmethionine sulfone(1-).

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

SELFIES: [C][C][Branch1][C][O][=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)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -1.1