methyl (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-5-azido-6-(4-methylphenyl)sulfanyl-4-phenylmethoxy-oxan-3-yl]oxy-3-oxidanyl-5-(phenylcarbonyloxy)-4-phenylmethoxy-oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-5-azido-6-(4-methylphenyl)sulfanyl-4-phenylmethoxy-oxan-3-yl]oxy-3-oxidanyl-5-(phenylcarbonyloxy)-4-phenylmethoxy-oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-2-(acetoxymethyl)-5-azido-4-benzyloxy-6-(p-tolylsulfanyl)tetrahydropyran-3-yl]oxy-5-benzoyloxy-4-benzyloxy-3-hydroxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6R)-6-[[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-5-azido-6-[(4-methylphenyl)thio]-4-phenylmethoxy-3-oxanyl]oxy]-5-benzoyloxy-3-hydroxy-4-phenylmethoxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-5-azido-6-(4-methylphenyl)sulfanyl-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-3-hydroxy-4-phenylmethoxyoxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-2-(acetoxymethyl)-5-azido-4-benzoxy-6-(p-tolylthio)tetrahydropyran-3-yl]oxy-4-benzoxy-5-benzoyloxy-3-hydroxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C43H45N3O12S MolecularWeight: 827.8953

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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)C(=O)OC)O)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OCC6=CC=CC=C6)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)C(=O)OC)O)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OCC6=CC=CC=C6)N=[N+]=[N-]

InChI

InChI=1S/C43H45N3O12S/c1-26-19-21-31(22-20-26)59-43-33(45-46-44)36(53-23-28-13-7-4-8-14-28)35(32(55-43)25-52-27(2)47)57-42-39(56-40(49)30-17-11-6-12-18-30)37(34(48)38(58-42)41(50)51-3)54-24-29-15-9-5-10-16-29/h4-22,32-39,42-43,48H,23-25H2,1-3H3/t32-,33-,34+,35-,36-,37+,38+,39-,42-,43+/m1/s1