methyl (2S,3S,4S,5S,6R)-6-(3-azidopropoxy)-3-[(2R,3S,4S,5S,6S)-6-methoxycarbonyl-5-(4-oxidanylidenepentanoyloxy)-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5S,6R)-6-(3-azidopropoxy)-3-[(2R,3S,4S,5S,6S)-6-methoxycarbonyl-5-(4-oxidanylidenepentanoyloxy)-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5S,6R)-6-(3-azidopropoxy)-4,5-dibenzyloxy-3-[(2R,3S,4S,5S,6S)-3,4-dibenzyloxy-6-methoxycarbonyl-5-(4-oxopentanoyloxy)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5S,6R)-6-(3-azidopropoxy)-3-[[(2R,3S,4S,5S,6S)-5-(1,4-dioxopentoxy)-6-methoxycarbonyl-3,4-bis(phenylmethoxy)-2-oxanyl]oxy]-4,5-bis(phenylmethoxy)-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5S,6R)-6-(3-azidopropoxy)-3-[(2R,3S,4S,5S,6S)-6-methoxycarbonyl-5-(4-oxopentanoyloxy)-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate Traditional Name: (2S,3S,4S,5S,6R)-6-(3-azidopropoxy)-4,5-dibenzoxy-3-[(2R,3S,4S,5S,6S)-3,4-dibenzoxy-6-carbomethoxy-5-(4-ketopentanoyloxy)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C50H57N3O15 MolecularWeight: 939.99868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(C(C(OC1C(=O)OC)OC2C(C(C(OC2C(=O)OC)OCCCN=[N+]=[N-])OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC(=O)CCC(=O)O[C@H]1[C@@H]([C@@H]([C@@H](O[C@@H]1C(=O)OC)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@@H]2C(=O)OC)OCCCN=[N+]=[N-])OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C50H57N3O15/c1-33(54)25-26-38(55)65-41-39(61-29-34-17-8-4-9-18-34)46(64-32-37-23-14-7-15-24-37)50(68-43(41)47(56)58-2)66-42-40(62-30-35-19-10-5-11-20-35)45(63-31-36-21-12-6-13-22-36)49(60-28-16-27-52-53-51)67-44(42)48(57)59-3/h4-15,17-24,39-46,49-50H,16,25-32H2,1-3H3/t39-,40-,41-,42-,43-,44-,45-,46-,49+,50+/m0/s1