propan-2-yl 2-[[4-(hydroxymethyl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-[[4-(hydroxymethyl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-[[4-(hydroxymethyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(hydroxymethyl)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-(hydroxymethyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-methylol-2-phenyl-benzoyl)amino]-4-(methylthio)butyric acid isopropyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CO)C2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CO)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO4S/c1-15(2)27-22(26)20(11-12-28-3)23-21(25)18-10-9-16(14-24)13-19(18)17-7-5-4-6-8-17/h4-10,13,15,20,24H,11-12,14H2,1-3H3,(H,23,25)