3-[(2-acetamido-3-methoxy-3-oxidanylidene-propyl)sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[(2-acetamido-3-methoxy-3-oxidanylidene-propyl)sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[(2-acetamido-3-methoxy-3-oxo-propyl)sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[(2-acetamido-3-methoxy-3-oxopropyl)thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[(2-acetamido-3-methoxy-3-oxopropyl)sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[(2-acetamido-3-keto-3-methoxy-propyl)thio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCC(CC(=O)O)C(=O)C1=CN=CC=C1)C(=O)OC

Isomeric SMILES

CC(=O)NC(CSCC(CC(=O)O)C(=O)C1=CN=CC=C1)C(=O)OC

InChI

InChI=1S/C16H20N2O6S/c1-10(19)18-13(16(23)24-2)9-25-8-12(6-14(20)21)15(22)11-4-3-5-17-7-11/h3-5,7,12-13H,6,8-9H2,1-2H3,(H,18,19)(H,20,21)