(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-azanyl-4-[(2S,4S,5R)-5-[(E)-1-[2,3-bis(chloranyl)-5-fluoranyl-phenoxy]pent-2-en-3-yl]-4-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-azanyl-4-[(2S,4S,5R)-5-[(E)-1-[2,3-bis(chloranyl)-5-fluoranyl-phenoxy]pent-2-en-3-yl]-4-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-amino-4-[(2S,4S,5R)-5-[(E)-3-(2,3-dichloro-5-fluoro-phenoxy)-1-ethyl-prop-1-enyl]-4-hydroxy-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-amino-4-[[(2S,4S,5R)-5-[(E)-1-(2,3-dichloro-5-fluorophenoxy)pent-2-en-3-yl]-4-hydroxy-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-amino-4-[(2S,4S,5R)-5-[(E)-1-(2,3-dichloro-5-fluorophenoxy)pent-2-en-3-yl]-4-hydroxyoxolan-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-amino-4-[(2S,4S,5R)-5-[(E)-3-(2,3-dichloro-5-fluoro-phenoxy)-1-ethyl-prop-1-enyl]-4-hydroxy-tetrahydrofuran-2-yl]oxy-phenyl]-2-methyl-acrylamide Formula: C32H37Cl2FN2O10 MolecularWeight: 699.547983

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCOC1=CC(=CC(=C1Cl)Cl)F)C2C(CC(O2)OC3=C(C=C(C=C3)C=C(C)C(=O)NC4C(C(C5C(C4O)OCO5)O)O)N)O

Isomeric SMILES

CC/C(=C\COC1=CC(=CC(=C1Cl)Cl)F)/[C@@H]2[C@H](C[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)N)O

InChI

InChI=1S/C32H37Cl2FN2O10/c1-3-16(6-7-43-22-11-17(35)10-18(33)24(22)34)29-20(38)12-23(47-29)46-21-5-4-15(9-19(21)36)8-14(2)32(42)37-25-26(39)28(41)31-30(27(25)40)44-13-45-31/h4-6,8-11,20,23,25-31,38-41H,3,7,12-13,36H2,1-2H3,(H,37,42)/b14-8+,16-6+/t20-,23+,25+,26-,27+,28+,29+,30-,31+/m0/s1