(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,4R,5R)-5-[(E)-N-[(3-fluoranyl-4-piperidin-1-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,4R,5R)-5-[(E)-N-[(3-fluoranyl-4-piperidin-1-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,4R,5R)-5-[(E)-N-[[3-fluoro-4-(1-piperidyl)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,4R,5R)-5-[(1E)-1-[[3-fluoro-4-(1-piperidinyl)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,4R,5R)-5-[(E)-N-[(3-fluoro-4-piperidin-1-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,4R,5R)-5-[(E)-N-(3-fluoro-4-piperidino-benzyl)oxy-C-methyl-carbonimidoyl]-4-hydroxy-tetrahydrofuran-2-yl]oxy-phenyl]-2-methyl-acrylamide Formula: C35H43F2N3O10 MolecularWeight: 703.726826

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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)N4CCCCC4)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)N4CCCCC4)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/C35H43F2N3O10/c1-18(35(45)38-28-29(42)31(44)34-33(30(28)43)46-17-47-34)12-20-7-9-26(23(37)13-20)49-27-15-25(41)32(50-27)19(2)39-48-16-21-6-8-24(22(36)14-21)40-10-4-3-5-11-40/h6-9,12-14,25,27-34,41-44H,3-5,10-11,15-17H2,1-2H3,(H,38,45)/b18-12+,39-19+/t25-,27-,28-,29+,30-,31-,32-,33+,34-/m1/s1