2-azanyl-4-methylsulfanyl-butanoic acid; 2,4-bis(azanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; 2,4-bis(azanyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; 2,4-diamino-4-oxo-butanoic acid CAS Name: 2-amino-4-(methylthio)butanoic acid; 2,4-diamino-4-oxobutanoic acid IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; 2,4-diamino-4-oxobutanoic acid Traditional Name: 2-amino-4-(methylthio)butyric acid; 2,4-diamino-4-keto-butyric acid Formula: C13H27N5O8S MolecularWeight: 413.44718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H11NO2S.2C4H8N2O3/c1-9-3-2-4(6)5(7)8;2*5-2(4(8)9)1-3(6)7/h4H,2-3,6H2,1H3,(H,7,8);2*2H,1,5H2,(H2,6,7)(H,8,9)