(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,4S,5R)-5-[(Z)-N-[(2,4-dimethoxyphenyl)methoxy]-C-methyl-carbonimidoyl]-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,4S,5R)-5-[(Z)-N-[(2,4-dimethoxyphenyl)methoxy]-C-methyl-carbonimidoyl]-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,4S,5R)-5-[(Z)-N-[(2,4-dimethoxyphenyl)methoxy]-C-methyl-carbonimidoyl]-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,4S,5R)-5-[(1Z)-1-[(2,4-dimethoxyphenyl)methoxyimino]ethyl]-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,4S,5R)-5-[(Z)-N-[(2,4-dimethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-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,4S,5R)-5-[(Z)-N-(2,4-dimethoxybenzyl)oxy-C-methyl-carbonimidoyl]-4-hydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-acrylamide Formula: C32H40N2O13 MolecularWeight: 660.6656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC2CC(C(O2)C(=NOCC3=C(C=C(C=C3)OC)OC)C)O)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](O2)/C(=N\OCC3=C(C=C(C=C3)OC)OC)/C)O)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/C32H40N2O13/c1-15(32(40)33-25-26(37)28(39)31-30(27(25)38)43-14-44-31)9-17-5-8-22(20(35)10-17)46-24-12-21(36)29(47-24)16(2)34-45-13-18-6-7-19(41-3)11-23(18)42-4/h5-11,21,24-31,35-39H,12-14H2,1-4H3,(H,33,40)/b15-9+,34-16-/t21-,24+,25+,26-,27+,28+,29+,30-,31+/m0/s1