3-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-3-phenyl-propanoic acid

Systemtic Name: 3-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-3-phenyl-propanoic acid Openeye Name: 3-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-3-phenyl-propanoic acid CAS Name: 3-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-3-phenylpropanoic acid IUPAC Name: 3-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyl-3-phenylpropanoic acid Traditional Name: 3-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]-3-phenyl-propionic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(CC(=O)O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC(CC(=O)O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H17NO5S/c1-9(16)15-11(14(19)20)8-21-12(7-13(17)18)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,15,16)(H,17,18)(H,19,20)