methyl (2R,3S,4S,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-(phenylcarbonyloxymethyl)-4-phenylmethoxy-6-propan-2-yloxy-oxan-3-yl]oxy-5-(2,2-dimethylpropanoyloxy)-4-phenylmethoxy-oxane-2-carboxylate

Systemtic Name: methyl (2R,3S,4S,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-(phenylcarbonyloxymethyl)-4-phenylmethoxy-6-propan-2-yloxy-oxan-3-yl]oxy-5-(2,2-dimethylpropanoyloxy)-4-phenylmethoxy-oxane-2-carboxylate Openeye Name: methyl (2R,3S,4S,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-8-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-(benzoyloxymethyl)-4-benzyloxy-6-isopropoxy-tetrahydropyran-3-yl]oxy-4-benzyloxy-5-(2,2-dimethylpropanoyloxy)tetrahydropyran-2-carboxylate CAS Name: (2R,3S,4S,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(2R,3S,4R,5R,6S)-5-acetamido-2-(benzoyloxymethyl)-4-phenylmethoxy-6-propan-2-yloxy-3-oxanyl]oxy]-5-(2,2-dimethyl-1-oxopropoxy)-4-phenylmethoxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S,4S,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-(benzoyloxymethyl)-4-phenylmethoxy-6-propan-2-yloxyoxan-3-yl]oxy-5-(2,2-dimethylpropanoyloxy)-4-phenylmethoxyoxane-2-carboxylate Traditional Name: (2R,3S,4S,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-8-benzoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-benzoxy-2-(benzoyloxymethyl)-6-isopropoxy-tetrahydropyran-3-yl]oxy-4-benzoxy-5-pivaloyloxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C64H74N4O18 MolecularWeight: 1187.28836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)OC3C(C(C(C(O3)C(=O)OC)OC4C(C(C5C(O4)COC(O5)C6=CC=CC=C6)OCC7=CC=CC=C7)N=[N+]=[N-])OCC8=CC=CC=C8)OC(=O)C(C)(C)C)OCC9=CC=CC=C9)NC(=O)C

Isomeric SMILES

CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)OC)O[C@@H]4[C@@H]([C@H]([C@H]5[C@H](O4)CO[C@H](O5)C6=CC=CC=C6)OCC7=CC=CC=C7)N=[N+]=[N-])OCC8=CC=CC=C8)OC(=O)C(C)(C)C)OCC9=CC=CC=C9)NC(=O)C

InChI

InChI=1S/C64H74N4O18/c1-38(2)79-60-47(66-39(3)69)51(74-33-40-23-13-8-14-24-40)49(45(80-60)36-77-57(70)43-29-19-11-20-30-43)83-62-56(86-63(72)64(4,5)6)53(76-35-42-27-17-10-18-28-42)54(55(85-62)58(71)73-7)84-61-48(67-68-65)52(75-34-41-25-15-9-16-26-41)50-46(81-61)37-78-59(82-50)44-31-21-12-22-32-44/h8-32,38,45-56,59-62H,33-37H2,1-7H3,(H,66,69)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55-,56-,59-,60+,61-,62-/m1/s1