[1-[(2S,3S,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-fluoranyl-propan-2-yl] benzoate

Systemtic Name: [1-[(2S,3S,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-fluoranyl-propan-2-yl] benzoate Openeye Name: [1-[[(2S,3S,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-8-benzyloxy-7-(1,3-dioxoisoindolin-2-yl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4-benzyloxy-6-(benzyloxymethyl)-3-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-2-yl]methyl]-2-fluoro-ethyl] benzoate CAS Name: benzoic acid [1-[(2S,3S,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-(1,3-dioxo-2-isoindolyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-(1,3-dioxo-2-isoindolyl)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl]-3-fluoropropan-2-yl] ester IUPAC Name: [1-[(2S,3S,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-(1,3-dioxoisoindol-2-yl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-fluoropropan-2-yl] benzoate Traditional Name: benzoic acid [1-[[(2S,3S,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-8-benzoxy-2-phenyl-7-phthalimido-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4-benzoxy-6-(benzoxymethyl)-3-phthalimido-tetrahydropyran-2-yl]methyl]-2-fluoro-ethyl] ester Formula: C66H59FN2O14 MolecularWeight: 1123.178063

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(C(O2)OC3C(OC(C(C3OCC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)CC(CF)OC(=O)C7=CC=CC=C7)COCC8=CC=CC=C8)N9C(=O)C2=CC=CC=C2C9=O)OCC2=CC=CC=C2)OC(O1)C1=CC=CC=C1

Isomeric SMILES

C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OCC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)CC(CF)OC(=O)C7=CC=CC=C7)COCC8=CC=CC=C8)N9C(=O)C2=CC=CC=C2C9=O)OCC2=CC=CC=C2)O[C@@H](O1)C1=CC=CC=C1

InChI

InChI=1S/C66H59FN2O14/c67-35-46(79-64(74)44-26-12-4-13-27-44)34-51-54(68-60(70)47-30-16-17-31-48(47)61(68)71)58(76-37-42-22-8-2-9-23-42)56(52(80-51)39-75-36-41-20-6-1-7-21-41)83-66-55(69-62(72)49-32-18-19-33-50(49)63(69)73)59(77-38-43-24-10-3-11-25-43)57-53(81-66)40-78-65(82-57)45-28-14-5-15-29-45/h1-33,46,51-59,65-66H,34-40H2/t46?,51-,52+,53+,54-,55+,56+,57+,58+,59+,65+,66-/m0/s1