[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-5-azido-6-(4-methylphenyl)sulfanyl-4-phenylmethoxy-oxan-3-yl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-oxidanylidenepentanoyloxy)-4-phenylmethoxy-oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-5-azido-6-(4-methylphenyl)sulfanyl-4-phenylmethoxy-oxan-3-yl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-oxidanylidenepentanoyloxy)-4-phenylmethoxy-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-2-(acetoxymethyl)-5-azido-4-benzyloxy-6-(p-tolylsulfanyl)tetrahydropyran-3-yl]oxy-4-benzyloxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-oxopentanoyloxy)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-5-azido-6-[(4-methylphenyl)thio]-4-phenylmethoxy-3-oxanyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,4-dioxopentoxy)-4-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-5-azido-6-(4-methylphenyl)sulfanyl-4-phenylmethoxyoxan-3-yl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-oxopentanoyloxy)-4-phenylmethoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-2-(acetoxymethyl)-5-azido-4-benzoxy-6-(p-tolylthio)tetrahydropyran-3-yl]oxy-4-benzoxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-ketopentanoyloxy)tetrahydropyran-3-yl] ester Formula: C63H69N3O13SSi MolecularWeight: 1136.38476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(C(C(C(O2)COC(=O)C)OC3C(C(C(C(O3)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OC(=O)CCC(=O)C)OCC6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OCC8=CC=CC=C8)N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OC(=O)CCC(=O)C)OCC6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OCC8=CC=CC=C8)N=[N+]=[N-]

InChI

InChI=1S/C63H69N3O13SSi/c1-42-32-35-48(36-33-42)80-62-54(65-66-64)57(72-38-45-22-12-7-13-23-45)55(51(76-62)40-71-44(3)68)79-61-59(78-60(70)47-26-16-9-17-27-47)58(73-39-46-24-14-8-15-25-46)56(77-53(69)37-34-43(2)67)52(75-61)41-74-81(63(4,5)6,49-28-18-10-19-29-49)50-30-20-11-21-31-50/h7-33,35-36,51-52,54-59,61-62H,34,37-41H2,1-6H3/t51-,52-,54-,55-,56-,57-,58+,59-,61+,62+/m1/s1