(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,3S,4R,5R)-5-[(E)-N-[(4-fluorophenyl)methoxy]-C-methyl-carbonimidoyl]-3-methyl-3,4-bis(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,3S,4R,5R)-5-[(E)-N-[(4-fluorophenyl)methoxy]-C-methyl-carbonimidoyl]-3-methyl-3,4-bis(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,3S,4R,5R)-5-[(E)-N-[(4-fluorophenyl)methoxy]-C-methyl-carbonimidoyl]-3,4-dihydroxy-3-methyl-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,3S,4R,5R)-5-[(1E)-1-[(4-fluorophenyl)methoxyimino]ethyl]-3,4-dihydroxy-3-methyl-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,3S,4R,5R)-5-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-3,4-dihydroxy-3-methyloxolan-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,3S,4R,5R)-5-[(E)-N-(4-fluorobenzyl)oxy-C-methyl-carbonimidoyl]-3,4-dihydroxy-3-methyl-tetrahydrofuran-2-yl]oxy-phenyl]-2-methyl-acrylamide Formula: C31H36F2N2O11 MolecularWeight: 650.621146

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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)C)O)(C)O)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@@]([C@@H]([C@H](O2)/C(=N/OCC3=CC=C(C=C3)F)/C)O)(C)O)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/C31H36F2N2O11/c1-14(29(40)34-21-22(36)24(38)27-26(23(21)37)42-13-43-27)10-17-6-9-20(19(33)11-17)45-30-31(3,41)28(39)25(46-30)15(2)35-44-12-16-4-7-18(32)8-5-16/h4-11,21-28,30,36-39,41H,12-13H2,1-3H3,(H,34,40)/b14-10+,35-15+/t21-,22+,23-,24-,25-,26+,27-,28-,30-,31+/m1/s1