(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,3R,4S,5R)-5-[(E)-4-(2-fluoranylphenoxy)but-2-en-2-yl]-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,3R,4S,5R)-5-[(E)-4-(2-fluoranylphenoxy)but-2-en-2-yl]-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,3R,4S,5R)-5-[(E)-3-(2-fluorophenoxy)-1-methyl-prop-1-enyl]-3,4-dihydroxy-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,3R,4S,5R)-5-[(E)-4-(2-fluorophenoxy)but-2-en-2-yl]-3,4-dihydroxy-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,3R,4S,5R)-5-[(E)-4-(2-fluorophenoxy)but-2-en-2-yl]-3,4-dihydroxyoxolan-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,3R,4S,5R)-5-[(E)-3-(2-fluorophenoxy)-1-methyl-prop-1-enyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-phenyl]-2-methyl-acrylamide Formula: C31H35F2NO11 MolecularWeight: 635.606506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=CC=CC=C1F)C2C(C(C(O2)OC3=C(C=C(C=C3)C=C(C)C(=O)NC4C(C(C5C(C4O)OCO5)O)O)F)O)O

Isomeric SMILES

C/C(=C\COC1=CC=CC=C1F)/[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)F)O)O

InChI

InChI=1S/C31H35F2NO11/c1-14(9-10-41-19-6-4-3-5-17(19)32)27-25(38)26(39)31(45-27)44-20-8-7-16(12-18(20)33)11-15(2)30(40)34-21-22(35)24(37)29-28(23(21)36)42-13-43-29/h3-9,11-12,21-29,31,35-39H,10,13H2,1-2H3,(H,34,40)/b14-9+,15-11+/t21-,22+,23-,24-,25+,26-,27-,28+,29-,31-/m1/s1