2-[[4-[[(1-methylimidazol-4-yl)carbonylamino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[[(1-methylimidazol-4-yl)carbonylamino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[(1-methylimidazole-4-carbonyl)amino]methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[[(1-methyl-4-imidazolyl)-oxomethyl]amino]methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[(1-methylimidazole-4-carbonyl)amino]methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[(1-methylimidazole-4-carbonyl)amino]methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)C(=O)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(N=C1)C(=O)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H26N4O4S/c1-28-14-21(26-15-28)23(30)25-13-16-8-9-18(19(12-16)17-6-4-3-5-7-17)22(29)27-20(24(31)32)10-11-33-2/h3-9,12,14-15,20H,10-11,13H2,1-2H3,(H,25,30)(H,27,29)(H,31,32)