Molecule ID: 16118

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

Description: The molecule is a non-proteinogenic alpha-amino acid that is the sulfoximine derivative of methionine. It is a methionine derivative, a sulfoximide and a non-proteinogenic alpha-amino acid.

SMILES: CS(=N)(=O)CCC(N)C(=O)O

SELFIES: [C][S][=Branch1][C][=N][=Branch1][C][=O][C][C][C][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)

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