Molecule ID: 91972244

IUPAC Name: (2S)-2-acetamido-4-(methylsulfonimidoyl)butanoic acid

Description: The molecule is an N-acyl-L-alpha-amino acid that is L-methionine sulfoximine in which a hydrogen attached to the nitrogen is replaced by an acetyl group. It is a N-acetyl-L-amino acid, a L-methionine derivative, a N-acyl-L-alpha-amino acid and a sulfoximide. It is a conjugate acid of a N-acetyl-L-methionine sulfoximine(1-).

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

SELFIES: [C][C][Branch1][C][O][=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)/t6-,14?/m0/s1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 0.2