methyl (2S)-4-methylsulfanyl-2-[[4-oxidanylidene-4-(4-phenylphenyl)butanoyl]amino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[4-oxidanylidene-4-(4-phenylphenyl)butanoyl]amino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]butanoate CAS Name: (2S)-2-[[1,4-dioxo-4-(4-phenylphenyl)butyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]butanoate Traditional Name: (2S)-2-[[4-keto-4-(4-phenylphenyl)butanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO4S/c1-27-22(26)19(14-15-28-2)23-21(25)13-12-20(24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,12-15H2,1-2H3,(H,23,25)/t19-/m0/s1