(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-chlorophenyl)methoxy]-C-methyl-carbonimidoyl]-3-fluoranyl-4-oxidanyl-oxolan-2-yl]oxy-3-oxidanyl-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-chlorophenyl)methoxy]-C-methyl-carbonimidoyl]-3-fluoranyl-4-oxidanyl-oxolan-2-yl]oxy-3-oxidanyl-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-chlorophenyl)methoxy]-C-methyl-carbonimidoyl]-3-fluoro-4-hydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-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-chlorophenyl)methoxyimino]ethyl]-3-fluoro-4-hydroxy-2-oxolanyl]oxy]-3-hydroxyphenyl]-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-chlorophenyl)methoxy]-C-methylcarbonimidoyl]-3-fluoro-4-hydroxyoxolan-2-yl]oxy-3-hydroxyphenyl]-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-chlorobenzyl)oxy-C-methyl-carbonimidoyl]-3-fluoro-4-hydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-acrylamide Formula: C30H34ClFN2O11 MolecularWeight: 653.049163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC2C(C(C(O2)C(=NOCC3=CC(=CC=C3)Cl)C)O)F)O)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(=CC=C3)Cl)/C)O)F)O)/C(=O)N[C@@H]4[C@@H]([C@H]([C@@H]5[C@H]([C@@H]4O)OCO5)O)O

InChI

InChI=1S/C30H34ClFN2O11/c1-13(29(40)33-21-23(37)25(39)28-27(24(21)38)41-12-42-28)8-15-6-7-19(18(35)10-15)44-30-20(32)22(36)26(45-30)14(2)34-43-11-16-4-3-5-17(31)9-16/h3-10,20-28,30,35-39H,11-12H2,1-2H3,(H,33,40)/b13-8+,34-14+/t20-,21-,22+,23+,24-,25-,26-,27+,28-,30-/m1/s1