methyl 2-[[4-[2-(1-methylimidazol-4-yl)ethanoylamino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CC(=O)NC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(N=C1)CC(=O)NC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H28N4O4S/c1-29-15-19(26-16-29)14-23(30)27-18-9-10-20(21(13-18)17-7-5-4-6-8-17)24(31)28-22(11-12-34-3)25(32)33-2/h4-10,13,15-16,22H,11-12,14H2,1-3H3,(H,27,30)(H,28,31)