2-[[3-ethanoylsulfanyl-4-oxidanylidene-4-(4-phenylphenyl)butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-oxidanylidene-4-(4-phenylphenyl)butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-(acetylthio)-1,4-dioxo-4-(4-phenylphenyl)butyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(4-phenylphenyl)butanoyl]amino]-3-methyl-butyric acid Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5S/c1-14(2)21(23(28)29)24-20(26)13-19(30-15(3)25)22(27)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,14,19,21H,13H2,1-3H3,(H,24,26)(H,28,29)