2-[(2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-acetylsulfanyl-4-oxo-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(acetylthio)-1,4-dioxo-4-phenylbutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-acetylsulfanyl-4-oxo-4-phenylbutanoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(acetylthio)-4-keto-4-phenyl-butanoyl]amino]-3-phenyl-propionic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SC(CC(=O)C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H21NO5S/c1-14(23)28-19(13-18(24)16-10-6-3-7-11-16)20(25)22-17(21(26)27)12-15-8-4-2-5-9-15/h2-11,17,19H,12-13H2,1H3,(H,22,25)(H,26,27)