4-azanyl-4-oxidanylidene-2-(3-sulfanylpropanoylamino)butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-(3-sulfanylpropanoylamino)butanoic acid Openeye Name: 4-amino-4-oxo-2-(3-sulfanylpropanoylamino)butanoic acid CAS Name: 4-amino-2-[(3-mercapto-1-oxopropyl)amino]-4-oxobutanoic acid IUPAC Name: 4-amino-4-oxo-2-(3-sulfanylpropanoylamino)butanoic acid Traditional Name: 4-amino-4-keto-2-(3-mercaptopropanoylamino)butyric acid Formula: C7H12N2O4S MolecularWeight: 220.24618

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Descriptors Computed from Structure

Canonical SMILES:

C(CS)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C(CS)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C7H12N2O4S/c8-5(10)3-4(7(12)13)9-6(11)1-2-14/h4,14H,1-3H2,(H2,8,10)(H,9,11)(H,12,13)