2-azanyl-4-methylsulfanyl-butanoic acid; piperazine-2,3-dione

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; piperazine-2,3-dione Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; piperazine-2,3-dione CAS Name: 2-amino-4-(methylthio)butanoic acid; piperazine-2,3-dione IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; piperazine-2,3-dione Traditional Name: 2-amino-4-(methylthio)butyric acid; piperazine-2,3-quinone Formula: C9H17N3O4S MolecularWeight: 263.31398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N.C1CNC(=O)C(=O)N1

Isomeric SMILES

CSCCC(C(=O)O)N.C1CNC(=O)C(=O)N1

InChI

InChI=1S/C5H11NO2S.C4H6N2O2/c1-9-3-2-4(6)5(7)8;7-3-4(8)6-2-1-5-3/h4H,2-3,6H2,1H3,(H,7,8);1-2H2,(H,5,7)(H,6,8)