methyl 2-[[4-(2-imidazol-1-ylethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(2-imidazol-1-ylethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(2-imidazol-1-ylethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[2-(1-imidazolyl)ethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-imidazol-1-ylethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(2-imidazol-1-ylethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CCN3C=CN=C3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CCN3C=CN=C3)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C25H29N3O3S/c1-18-6-4-5-7-20(18)22-16-19(10-13-28-14-12-26-17-28)8-9-21(22)24(29)27-23(11-15-32-3)25(30)31-2/h4-9,12,14,16-17,23H,10-11,13,15H2,1-3H3,(H,27,29)