methyl (4S)-3-(3,4-dichlorophenyl)-8-[3-[[2-oxidanylidene-2-[2-(triphenylmethyl)sulfanylethylamino]ethyl]-[2-(triphenyl-$l^{4}-sulfanyl)ethyl]amino]propyl]-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (4S)-3-(3,4-dichlorophenyl)-8-[3-[[2-oxidanylidene-2-[2-(triphenylmethyl)sulfanylethylamino]ethyl]-[2-(triphenyl-$l^{4}-sulfanyl)ethyl]amino]propyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (4S)-3-(3,4-dichlorophenyl)-8-[3-[[2-oxo-2-(2-tritylsulfanylethylamino)ethyl]-[2-(triphenyl-$l^{4}-sulfanyl)ethyl]amino]propyl]-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (4S)-3-(3,4-dichlorophenyl)-8-[3-[[2-oxo-2-[2-[(triphenylmethyl)thio]ethylamino]ethyl]-[2-(triphenyl-$l^{4}-sulfanyl)ethyl]amino]propyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (4S)-3-(3,4-dichlorophenyl)-8-[3-[[2-oxo-2-(2-tritylsulfanylethylamino)ethyl]-[2-(triphenyl-$l^{4}-sulfanyl)ethyl]amino]propyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (4S)-3-(3,4-dichlorophenyl)-8-[3-[[2-keto-2-[2-(tritylthio)ethylamino]ethyl]-(2-triphenylsulfuranylethyl)amino]propyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C61H63Cl2N3O3S2 MolecularWeight: 1021.20722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC(N2CCCN(CCS(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)NCCSC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)CC1C9=CC(=C(C=C9)Cl)Cl

Isomeric SMILES

COC(=O)[C@@H]1C2CCC(N2CCCN(CCS(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)NCCSC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)CC1C9=CC(=C(C=C9)Cl)Cl

InChI

InChI=1S/C61H63Cl2N3O3S2/c1-69-60(68)59-54(46-33-35-55(62)56(63)43-46)44-50-34-36-57(59)66(50)39-20-38-65(40-42-71(51-27-14-5-15-28-51,52-29-16-6-17-30-52)53-31-18-7-19-32-53)45-58(67)64-37-41-70-61(47-21-8-2-9-22-47,48-23-10-3-11-24-48)49-25-12-4-13-26-49/h2-19,21-33,35,43,50,54,57,59H,20,34,36-42,44-45H2,1H3,(H,64,67)/t50?,54?,57?,59-/m0/s1