(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)-C-methyl-N-[(4-piperidin-1-ylphenyl)methoxy]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)-C-methyl-N-[(4-piperidin-1-ylphenyl)methoxy]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)-4-hydroxy-5-[(E)-C-methyl-N-[[4-(1-piperidyl)phenyl]methoxy]carbonimidoyl]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)-4-hydroxy-5-[(1E)-1-[[4-(1-piperidinyl)phenyl]methoxyimino]ethyl]-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)-4-hydroxy-5-[(E)-C-methyl-N-[(4-piperidin-1-ylphenyl)methoxy]carbonimidoyl]oxolan-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)-4-hydroxy-5-[(E)-C-methyl-N-(4-piperidinobenzyl)oxy-carbonimidoyl]tetrahydrofuran-2-yl]oxy-phenyl]-2-methyl-acrylamide Formula: C35H44FN3O10 MolecularWeight: 685.736363

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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)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)/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/C35H44FN3O10/c1-19(35(44)37-28-29(41)31(43)34-33(30(28)42)45-18-46-34)14-22-8-11-26(24(36)15-22)48-27-16-25(40)32(49-27)20(2)38-47-17-21-6-9-23(10-7-21)39-12-4-3-5-13-39/h6-11,14-15,25,27-34,40-43H,3-5,12-13,16-18H2,1-2H3,(H,37,44)/b19-14+,38-20+/t25-,27-,28-,29+,30-,31-,32-,33+,34-/m1/s1