(3S,4S)-N-(methoxymethyl)-3-naphthalen-2-yl-8-[3-[[2-oxidanylidene-2-[2-(triphenyl-$l^{4}-sulfanyl)ethylamino]ethyl]-[2-(triphenylmethyl)sulfanylethyl]amino]propyl]-8-azabicyclo[3.2.1]octane-4-carboxamide

Systemtic Name: (3S,4S)-N-(methoxymethyl)-3-naphthalen-2-yl-8-[3-[[2-oxidanylidene-2-[2-(triphenyl-$l^{4}-sulfanyl)ethylamino]ethyl]-[2-(triphenylmethyl)sulfanylethyl]amino]propyl]-8-azabicyclo[3.2.1]octane-4-carboxamide Openeye Name: (3S,4S)-N-(methoxymethyl)-3-(2-naphthyl)-8-[3-[[2-oxo-2-[2-(triphenyl-$l^{4}-sulfanyl)ethylamino]ethyl]-(2-tritylsulfanylethyl)amino]propyl]-8-azabicyclo[3.2.1]octane-4-carboxamide CAS Name: (3S,4S)-N-(methoxymethyl)-3-(2-naphthalenyl)-8-[3-[[2-oxo-2-[2-(triphenyl-$l^{4}-sulfanyl)ethylamino]ethyl]-[2-[(triphenylmethyl)thio]ethyl]amino]propyl]-8-azabicyclo[3.2.1]octane-4-carboxamide IUPAC Name: (3S,4S)-N-(methoxymethyl)-3-naphthalen-2-yl-8-[3-[[2-oxo-2-[2-(triphenyl-$l^{4}-sulfanyl)ethylamino]ethyl]-(2-tritylsulfanylethyl)amino]propyl]-8-azabicyclo[3.2.1]octane-4-carboxamide Traditional Name: (3S,4S)-8-[3-[[2-keto-2-(2-triphenylsulfuranylethylamino)ethyl]-[2-(tritylthio)ethyl]amino]propyl]-N-(methoxymethyl)-3-(2-naphthyl)-8-azabicyclo[3.2.1]octane-4-carboxamide Formula: C66H70N4O3S2 MolecularWeight: 1031.417

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Descriptors Computed from Structure

Canonical SMILES:

COCNC(=O)C1C2CCC(N2CCCN(CCSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)NCCS(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)CC1C9=CC1=CC=CC=C1C=C9

Isomeric SMILES

COCNC(=O)[C@H]1[C@H](CC2CCC1N2CCCN(CCSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)NCCS(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC1=CC=CC=C1C=C9

InChI

InChI=1S/C66H70N4O3S2/c1-73-50-68-65(72)64-61(53-38-37-51-23-20-21-24-52(51)47-53)48-57-39-40-62(64)70(57)43-22-42-69(44-45-74-66(54-25-8-2-9-26-54,55-27-10-3-11-28-55)56-29-12-4-13-30-56)49-63(71)67-41-46-75(58-31-14-5-15-32-58,59-33-16-6-17-34-59)60-35-18-7-19-36-60/h2-21,23-38,47,57,61-62,64H,22,39-46,48-50H2,1H3,(H,67,71)(H,68,72)/t57?,61-,62?,64+/m1/s1