methyl 4-methylsulfanyl-2-[[3-[[[1-(triphenylmethyl)-3-[1-(triphenylmethyl)imidazol-4-yl]-2H-imidazol-4-yl]methylamino]methyl]phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[3-[[[1-(triphenylmethyl)-3-[1-(triphenylmethyl)imidazol-4-yl]-2H-imidazol-4-yl]methylamino]methyl]phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[3-[[[1-trityl-3-(1-tritylimidazol-4-yl)-2H-imidazol-4-yl]methylamino]methyl]benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[3-[[[1-(triphenylmethyl)-3-[1-(triphenylmethyl)-4-imidazolyl]-2H-imidazol-4-yl]methylamino]methyl]phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[3-[[[1-trityl-3-(1-tritylimidazol-4-yl)-2H-imidazol-4-yl]methylamino]methyl]benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[3-[[[1-trityl-3-(1-tritylimidazol-4-yl)-4-imidazolin-4-yl]methylamino]methyl]benzoyl]amino]butyric acid methyl ester Formula: C59H56N6O3S MolecularWeight: 929.17934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)CNCC2=CN(CN2C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)CNCC2=CN(CN2C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C59H56N6O3S/c1-68-57(67)54(36-37-69-2)62-56(66)46-23-21-22-45(38-46)39-60-40-53-41-64(59(50-30-15-6-16-31-50,51-32-17-7-18-33-51)52-34-19-8-20-35-52)44-65(53)55-42-63(43-61-55)58(47-24-9-3-10-25-47,48-26-11-4-12-27-48)49-28-13-5-14-29-49/h3-35,38,41-43,54,60H,36-37,39-40,44H2,1-2H3,(H,62,66)