Molecule ID: 89034

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

Description: The molecule is a methionine sulfoximine in which the amino group has S-stereochemistry. It has a role as an EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor. It is a methionine sulfoximine, a L-methionine derivative and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a L-methionine sulfoximine zwitterion.

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

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

InChI: InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -1.8