methyl 4-methylsulfanyl-2-[[2-phenyl-4-[[1-(triphenylmethyl)imidazol-4-yl]carbonylamino]phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[[1-(triphenylmethyl)imidazol-4-yl]carbonylamino]phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[(1-tritylimidazole-4-carbonyl)amino]benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-[[oxo-[1-(triphenylmethyl)-4-imidazolyl]methyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-[(1-tritylimidazole-4-carbonyl)amino]benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[(1-tritylimidazole-4-carbonyl)amino]benzoyl]amino]butyric acid methyl ester Formula: C42H38N4O4S MolecularWeight: 694.84052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C42H38N4O4S/c1-50-41(49)37(25-26-51-2)45-39(47)35-24-23-34(27-36(35)30-15-7-3-8-16-30)44-40(48)38-28-46(29-43-38)42(31-17-9-4-10-18-31,32-19-11-5-12-20-32)33-21-13-6-14-22-33/h3-24,27-29,37H,25-26H2,1-2H3,(H,44,48)(H,45,47)