methyl 2-[(3-acetamido-2-phenyl-phenyl)carbonyl-(1-methylimidazol-4-yl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(3-acetamido-2-phenyl-phenyl)carbonyl-(1-methylimidazol-4-yl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(3-acetamido-2-phenyl-benzoyl)-(1-methylimidazol-4-yl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-acetamido-2-phenylphenyl)-oxomethyl]-(1-methyl-4-imidazolyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(3-acetamido-2-phenylbenzoyl)-(1-methylimidazol-4-yl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(3-acetamido-2-phenyl-benzoyl)-(1-methylimidazol-4-yl)amino]-4-(methylthio)butyric acid methyl ester Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1C2=CC=CC=C2)C(=O)N(C3=CN(C=N3)C)C(CCSC)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1C2=CC=CC=C2)C(=O)N(C3=CN(C=N3)C)C(CCSC)C(=O)OC

InChI

InChI=1S/C25H28N4O4S/c1-17(30)27-20-12-8-11-19(23(20)18-9-6-5-7-10-18)24(31)29(22-15-28(2)16-26-22)21(13-14-34-4)25(32)33-3/h5-12,15-16,21H,13-14H2,1-4H3,(H,27,30)