2-[(4-methoxy-3-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4-methoxy-3-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(3-hydroxy-4-methoxy-4-oxo-butanoyl)amino]-3-sulfanyl-propanoic acid CAS Name: 2-[(3-hydroxy-4-methoxy-1,4-dioxobutyl)amino]-3-mercaptopropanoic acid IUPAC Name: 2-[(3-hydroxy-4-methoxy-4-oxobutanoyl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(3-hydroxy-4-keto-4-methoxy-butanoyl)amino]-3-mercapto-propionic acid Formula: C8H13NO6S MolecularWeight: 251.25692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13NO6S/c1-15-8(14)5(10)2-6(11)9-4(3-16)7(12)13/h4-5,10,16H,2-3H2,1H3,(H,9,11)(H,12,13)