(E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-fluoranyl-4-[(2S,4S,5R)-5-[(E)-N-[(3-fluoranyl-4-morpholin-4-yl-phenyl)methoxy]-C-methyl-carbonimidoyl]-4-oxidanyl-oxolan-2-yl]oxy-phenyl]-2-methyl-prop-2-enamide

Systemtic Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-fluoranyl-4-[(2S,4S,5R)-5-[(E)-N-[(3-fluoranyl-4-morpholin-4-yl-phenyl)methoxy]-C-methyl-carbonimidoyl]-4-oxidanyl-oxolan-2-yl]oxy-phenyl]-2-methyl-prop-2-enamide Openeye Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-fluoro-4-[(2S,4S,5R)-5-[(E)-N-[(3-fluoro-4-morpholino-phenyl)methoxy]-C-methyl-carbonimidoyl]-4-hydroxy-tetrahydrofuran-2-yl]oxy-phenyl]-2-methyl-prop-2-enamide CAS Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-fluoro-4-[[(2S,4S,5R)-5-[(1E)-1-[[3-fluoro-4-(4-morpholinyl)phenyl]methoxyimino]ethyl]-4-hydroxy-2-oxolanyl]oxy]phenyl]-2-methyl-2-propenamide IUPAC Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-fluoro-4-[(2S,4S,5R)-5-[(E)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methoxy]-C-methylcarbonimidoyl]-4-hydroxyoxolan-2-yl]oxyphenyl]-2-methylprop-2-enamide Traditional Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-fluoro-4-[(2S,4S,5R)-5-[(E)-N-(3-fluoro-4-morpholino-benzyl)oxy-C-methyl-carbonimidoyl]-4-hydroxy-tetrahydrofuran-2-yl]oxy-phenyl]-2-methyl-acrylamide Formula: C34H41F2N3O11 MolecularWeight: 705.699646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC2CC(C(O2)C(=NOCC3=CC(=C(C=C3)N4CCOCC4)F)C)O)F)C(=O)NC5C(C(C6C(C5O)OCO6)O)O

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1)O[C@H]2C[C@@H]([C@H](O2)/C(=N/OCC3=CC(=C(C=C3)N4CCOCC4)F)/C)O)F)/C(=O)N[C@@H]5[C@@H]([C@H]([C@@H]6[C@H]([C@@H]5O)OCO6)O)O

InChI

InChI=1S/C34H41F2N3O11/c1-17(34(44)37-27-28(41)30(43)33-32(29(27)42)46-16-47-33)11-19-4-6-25(22(36)12-19)49-26-14-24(40)31(50-26)18(2)38-48-15-20-3-5-23(21(35)13-20)39-7-9-45-10-8-39/h3-6,11-13,24,26-33,40-43H,7-10,14-16H2,1-2H3,(H,37,44)/b17-11+,38-18+/t24-,26+,27+,28-,29+,30+,31+,32-,33+/m0/s1