Molecule ID: 91972243

IUPAC Name: (2S)-2-acetamido-4-(methylsulfonimidoyl)butanoate

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

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

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

InChI: InChI=1S/C7H14N2O4S/c1-5(10)9-6(7(11)12)3-4-14(2,8)13/h6,8H,3-4H2,1-2H3,(H,9,10)(H,11,12)/p-1/t6-,14?/m0/s1

Molecular Properties:
- Polar Surface Area: 119.0 Ų
- LogP: 0.8