methyl 4-methylsulfanyl-2-[[4-(3-oxidanylpyrrolidin-1-yl)-2-phenyl-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[4-(3-oxidanylpyrrolidin-1-yl)-2-phenyl-phenyl]carbonylamino]butanoate Openeye Name: methyl 2-[[4-(3-hydroxypyrrolidin-1-yl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(3-hydroxy-1-pyrrolidinyl)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-hydroxypyrrolidin-1-yl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(3-hydroxypyrrolidino)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)N2CCC(C2)O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)N2CCC(C2)O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4S/c1-29-23(28)21(11-13-30-2)24-22(27)19-9-8-17(25-12-10-18(26)15-25)14-20(19)16-6-4-3-5-7-16/h3-9,14,18,21,26H,10-13,15H2,1-2H3,(H,24,27)