N-[(2R,3R,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-2-fluoranyl-ethanamide

Systemtic Name: N-[(2R,3R,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-2-fluoranyl-ethanamide Openeye Name: N-[(2R,3R,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-acetamido-8-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]-2-fluoro-acetamide CAS Name: N-[(2R,3R,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl]-2-fluoroacetamide IUPAC Name: N-[(2R,3R,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-2-fluoroacetamide Traditional Name: N-[(2R,3R,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-acetamido-8-benzoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-acetamido-4-benzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]-2-fluoro-acetamide Formula: C46H52FN3O11 MolecularWeight: 841.916983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1NC(=O)CF)COCC2=CC=CC=C2)OC3C(C(C4C(O3)COC(O4)C5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)C)OCC7=CC=CC=C7

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CF)COCC2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@H]4[C@H](O3)CO[C@H](O4)C5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)C)OCC7=CC=CC=C7

InChI

InChI=1S/C46H52FN3O11/c1-29(51)48-38-42(55-25-32-17-9-4-10-18-32)40(35(58-44(38)50-37(53)23-47)27-54-24-31-15-7-3-8-16-31)61-46-39(49-30(2)52)43(56-26-33-19-11-5-12-20-33)41-36(59-46)28-57-45(60-41)34-21-13-6-14-22-34/h3-22,35-36,38-46H,23-28H2,1-2H3,(H,48,51)(H,49,52)(H,50,53)/t35-,36-,38-,39-,40-,41-,42-,43-,44-,45-,46+/m1/s1