(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-[4-[(2S,3R,4R,5R)-5-[(E)-N-[[3,4-bis(fluoranyl)phenyl]methoxy]-C-methyl-carbonimidoyl]-3-fluoranyl-4-oxidanyl-oxolan-2-yl]oxy-3-fluoranyl-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-[4-[(2S,3R,4R,5R)-5-[(E)-N-[[3,4-bis(fluoranyl)phenyl]methoxy]-C-methyl-carbonimidoyl]-3-fluoranyl-4-oxidanyl-oxolan-2-yl]oxy-3-fluoranyl-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-[4-[(2S,3R,4R,5R)-5-[(E)-N-[(3,4-difluorophenyl)methoxy]-C-methyl-carbonimidoyl]-3-fluoro-4-hydroxy-tetrahydrofuran-2-yl]oxy-3-fluoro-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-[4-[[(2S,3R,4R,5R)-5-[(1E)-1-[(3,4-difluorophenyl)methoxyimino]ethyl]-3-fluoro-4-hydroxy-2-oxolanyl]oxy]-3-fluorophenyl]-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-[4-[(2S,3R,4R,5R)-5-[(E)-N-[(3,4-difluorophenyl)methoxy]-C-methylcarbonimidoyl]-3-fluoro-4-hydroxyoxolan-2-yl]oxy-3-fluorophenyl]-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-[4-[(2S,3R,4R,5R)-5-[(E)-N-(3,4-difluorobenzyl)oxy-C-methyl-carbonimidoyl]-3-fluoro-4-hydroxy-tetrahydrofuran-2-yl]oxy-3-fluoro-phenyl]-2-methyl-acrylamide Formula: C30H32F4N2O10 MolecularWeight: 656.576093

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC2C(C(C(O2)C(=NOCC3=CC(=C(C=C3)F)F)C)O)F)F)C(=O)NC4C(C(C5C(C4O)OCO5)O)O

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1)O[C@H]2[C@@H]([C@@H]([C@H](O2)/C(=N/OCC3=CC(=C(C=C3)F)F)/C)O)F)F)/C(=O)N[C@@H]4[C@@H]([C@H]([C@@H]5[C@H]([C@@H]4O)OCO5)O)O

InChI

InChI=1S/C30H32F4N2O10/c1-12(29(41)35-21-23(38)25(40)28-27(24(21)39)42-11-43-28)7-14-4-6-19(18(33)8-14)45-30-20(34)22(37)26(46-30)13(2)36-44-10-15-3-5-16(31)17(32)9-15/h3-9,20-28,30,37-40H,10-11H2,1-2H3,(H,35,41)/b12-7+,36-13+/t20-,21-,22+,23+,24-,25-,26-,27+,28-,30-/m1/s1