(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-[(1R,2S,3R,4S)-4-[(E)-3-[2,4-bis(chloranyl)phenoxy]prop-1-enyl]-2,3-bis(oxidanyl)cyclopentyl]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-[(1R,2S,3R,4S)-4-[(E)-3-[2,4-bis(chloranyl)phenoxy]prop-1-enyl]-2,3-bis(oxidanyl)cyclopentyl]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-[(1R,2S,3R,4S)-4-[(E)-3-(2,4-dichlorophenoxy)prop-1-enyl]-2,3-dihydroxy-cyclopentoxy]-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-[(1R,2S,3R,4S)-4-[(E)-3-(2,4-dichlorophenoxy)prop-1-enyl]-2,3-dihydroxycyclopentyl]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-[(1R,2S,3R,4S)-4-[(E)-3-(2,4-dichlorophenoxy)prop-1-enyl]-2,3-dihydroxycyclopentyl]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-[(1R,2S,3R,4S)-4-[(E)-3-(2,4-dichlorophenoxy)prop-1-enyl]-2,3-dihydroxy-cyclopentoxy]-3-hydroxy-phenyl]-2-methyl-acrylamide Formula: C31H35Cl2NO11 MolecularWeight: 668.5157

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC2CC(C(C2O)O)C=CCOC3=C(C=C(C=C3)Cl)Cl)O)C(=O)NC4C(C(C5C(C4O)OCO5)O)O

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1)O[C@@H]2C[C@H]([C@H]([C@@H]2O)O)/C=C/COC3=C(C=C(C=C3)Cl)Cl)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/C31H35Cl2NO11/c1-14(31(41)34-23-26(38)28(40)30-29(27(23)39)43-13-44-30)9-15-4-6-21(19(35)10-15)45-22-11-16(24(36)25(22)37)3-2-8-42-20-7-5-17(32)12-18(20)33/h2-7,9-10,12,16,22-30,35-40H,8,11,13H2,1H3,(H,34,41)/b3-2+,14-9+/t16-,22-,23-,24-,25-,26+,27-,28-,29+,30-/m1/s1