[(3R,4R,5S,6R)-5-[(2S,4'S,4aS,5R,5'R,6'R,7S,8R,8aS)-5'-acetamido-3-oxidanylidene-4',8-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-6'-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,2'-oxane]-7-yl]oxy-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] 2,2,2-tris(chloranyl)ethanimidate

Systemtic Name: [(3R,4R,5S,6R)-5-[(2S,4'S,4aS,5R,5'R,6'R,7S,8R,8aS)-5'-acetamido-3-oxidanylidene-4',8-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-6'-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,2'-oxane]-7-yl]oxy-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] 2,2,2-tris(chloranyl)ethanimidate Openeye Name: [(3R,4R,5S,6R)-5-[(2S,4'S,4aS,5R,5'R,6'R,7S,8R,8aS)-5'-acetamido-4',8-dibenzyloxy-5-(benzyloxymethyl)-3-oxo-6'-[(1S,2R)-1,2,3-tribenzyloxypropyl]spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,2'-tetrahydropyran]-7-yl]oxy-3-azido-4-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl] 2,2,2-trichloroethanimidate CAS Name: 2,2,2-trichloroethanimidic acid [(3R,4R,5S,6R)-5-[[(2S,4'S,4aS,5R,5'R,6'R,7S,8R,8aS)-5'-acetamido-3-oxo-4',8-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-6'-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]-7-spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-2,2'-oxane]yl]oxy]-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl] ester IUPAC Name: [(3R,4R,5S,6R)-5-[(2S,4'S,4aS,5R,5'R,6'R,7S,8R,8aS)-5'-acetamido-3-oxo-4',8-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-6'-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine-2,2'-oxane]-7-yl]oxy-3-azido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] 2,2,2-trichloroethanimidate Traditional Name: 2,2,2-trichloroacetimidic acid [(3R,4R,5S,6R)-5-[(2S,4'S,4aS,5R,5'R,6'R,7S,8R,8aS)-5'-acetamido-4',8-dibenzoxy-5-(benzoxymethyl)-3-keto-6'-[(1S,2R)-1,2,3-tribenzoxypropyl]spiro[5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-2,2'-tetrahydropyran]-7-yl]oxy-3-azido-4-benzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl] ester Formula: C81H84Cl3N5O17 MolecularWeight: 1505.91596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC2(C(=O)OC3C(OC(C(C3O2)OCC4=CC=CC=C4)OC5C(OC(C(C5OCC6=CC=CC=C6)N=[N+]=[N-])OC(=N)C(Cl)(Cl)Cl)COCC7=CC=CC=C7)COCC8=CC=CC=C8)OC1C(C(COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@]2(C(=O)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O2)OCC4=CC=CC=C4)O[C@@H]5[C@H](OC([C@@H]([C@H]5OCC6=CC=CC=C6)N=[N+]=[N-])OC(=N)C(Cl)(Cl)Cl)COCC7=CC=CC=C7)COCC8=CC=CC=C8)O[C@H]1[C@@H]([C@@H](COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C81H84Cl3N5O17/c1-54(90)87-67-63(95-46-58-32-16-5-17-33-58)42-80(105-73(67)69(97-48-60-36-20-7-21-37-60)64(96-47-59-34-18-6-19-35-59)51-92-43-55-26-10-2-11-27-55)79(91)103-71-66(53-94-45-57-30-14-4-15-31-57)101-77(75(74(71)106-80)99-50-62-40-24-9-25-41-62)102-70-65(52-93-44-56-28-12-3-13-29-56)100-76(104-78(85)81(82,83)84)68(88-89-86)72(70)98-49-61-38-22-8-23-39-61/h2-41,63-77,85H,42-53H2,1H3,(H,87,90)/t63-,64+,65+,66+,67+,68+,69+,70+,71-,72+,73+,74-,75+,76?,77-,80-/m0/s1