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

Systemtic Name: 2-[[4-(4-chlorophenyl)-3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-chlorophenyl)-2-methyl-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-chlorophenyl)-2-methyl-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-chlorophenyl)-2-methyl-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(4-chlorophenyl)-4-keto-2-methyl-butanoyl]amino]-3-phenyl-propionic acid Formula: C22H22ClNO5S MolecularWeight: 447.93178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO5S/c1-13(20(30-14(2)25)19(26)16-8-10-17(23)11-9-16)21(27)24-18(22(28)29)12-15-6-4-3-5-7-15/h3-11,13,18,20H,12H2,1-2H3,(H,24,27)(H,28,29)