(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)-N-[(3-chlorophenyl)methoxy]-C-methyl-carbonimidoyl]-3-methyl-3,4-bis(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)-N-[(3-chlorophenyl)methoxy]-C-methyl-carbonimidoyl]-3-methyl-3,4-bis(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)-N-[(3-chlorophenyl)methoxy]-C-methyl-carbonimidoyl]-3,4-dihydroxy-3-methyl-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-[(1E)-1-[(3-chlorophenyl)methoxyimino]ethyl]-3,4-dihydroxy-3-methyl-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)-N-[(3-chlorophenyl)methoxy]-C-methylcarbonimidoyl]-3,4-dihydroxy-3-methyloxolan-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)-N-(3-chlorobenzyl)oxy-C-methyl-carbonimidoyl]-3,4-dihydroxy-3-methyl-tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-acrylamide Formula: C31H37ClN2O12 MolecularWeight: 665.08468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC2C(C(C(O2)C(=NOCC3=CC(=CC=C3)Cl)C)O)(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]2[C@@]([C@@H]([C@H](O2)/C(=N/OCC3=CC(=CC=C3)Cl)/C)O)(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/C31H37ClN2O12/c1-14(29(40)33-21-22(36)24(38)27-26(23(21)37)42-13-43-27)9-16-7-8-20(19(35)11-16)45-30-31(3,41)28(39)25(46-30)15(2)34-44-12-17-5-4-6-18(32)10-17/h4-11,21-28,30,35-39,41H,12-13H2,1-3H3,(H,33,40)/b14-9+,34-15+/t21-,22+,23-,24-,25-,26+,27-,28-,30-,31+/m1/s1