2-oxidanyl-3-(3-oxidanylidenebutanethioylamino)-4-phenyl-butanoic acid

Systemtic Name: 2-oxidanyl-3-(3-oxidanylidenebutanethioylamino)-4-phenyl-butanoic acid Openeye Name: 2-hydroxy-3-(3-oxobutanethioylamino)-4-phenyl-butanoic acid CAS Name: 2-hydroxy-3-[(3-oxo-1-sulfanylidenebutyl)amino]-4-phenylbutanoic acid IUPAC Name: 2-hydroxy-3-(3-oxobutanethioylamino)-4-phenylbutanoic acid Traditional Name: 2-hydroxy-3-(3-ketobutanethioylamino)-4-phenyl-butyric acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=S)NC(CC1=CC=CC=C1)C(C(=O)O)O

Isomeric SMILES

CC(=O)CC(=S)NC(CC1=CC=CC=C1)C(C(=O)O)O

InChI

InChI=1S/C14H17NO4S/c1-9(16)7-12(20)15-11(13(17)14(18)19)8-10-5-3-2-4-6-10/h2-6,11,13,17H,7-8H2,1H3,(H,15,20)(H,18,19)