(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,3S,4R,5R)-5-[(E)-4-(4-chloranyl-2-fluoranyl-phenoxy)but-2-en-2-yl]-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,3S,4R,5R)-5-[(E)-4-(4-chloranyl-2-fluoranyl-phenoxy)but-2-en-2-yl]-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,3S,4R,5R)-5-[(E)-3-(4-chloro-2-fluoro-phenoxy)-1-methyl-prop-1-enyl]-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,3S,4R,5R)-5-[(E)-4-(4-chloro-2-fluorophenoxy)but-2-en-2-yl]-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,3S,4R,5R)-5-[(E)-4-(4-chloro-2-fluorophenoxy)but-2-en-2-yl]-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,3S,4R,5R)-5-[(E)-3-(4-chloro-2-fluoro-phenoxy)-1-methyl-prop-1-enyl]-3-fluoro-4-hydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-acrylamide Formula: C31H34ClF2NO11 MolecularWeight: 670.051566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=C(C=C1)Cl)F)C2C(C(C(O2)OC3=C(C=C(C=C3)C=C(C)C(=O)NC4C(C(C5C(C4O)OCO5)O)O)O)F)O

Isomeric SMILES

C/C(=C\COC1=C(C=C(C=C1)Cl)F)/[C@@H]2[C@H]([C@@H]([C@@H](O2)OC3=C(C=C(C=C3)/C=C(\C)/C(=O)N[C@@H]4[C@@H]([C@H]([C@@H]5[C@H]([C@@H]4O)OCO5)O)O)O)F)O

InChI

InChI=1S/C31H34ClF2NO11/c1-13(7-8-42-19-6-4-16(32)11-17(19)33)27-23(37)21(34)31(46-27)45-20-5-3-15(10-18(20)36)9-14(2)30(41)35-22-24(38)26(40)29-28(25(22)39)43-12-44-29/h3-7,9-11,21-29,31,36-40H,8,12H2,1-2H3,(H,35,41)/b13-7+,14-9+/t21-,22+,23-,24-,25+,26+,27+,28-,29+,31+/m0/s1