(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]-2-methyl-3-[4-[(2S,4S,5R)-5-[(Z)-C-methyl-N-phenylmethoxy-carbonimidoyl]-4-oxidanyl-oxolan-2-yl]oxy-3-oxidanyl-phenyl]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]-2-methyl-3-[4-[(2S,4S,5R)-5-[(Z)-C-methyl-N-phenylmethoxy-carbonimidoyl]-4-oxidanyl-oxolan-2-yl]oxy-3-oxidanyl-phenyl]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-benzyloxy-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-[3-hydroxy-4-[[(2S,4S,5R)-4-hydroxy-5-[(1Z)-1-phenylmethoxyiminoethyl]-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-hydroxy-4-[(2S,4S,5R)-4-hydroxy-5-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]oxolan-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-[4-[(2S,4S,5R)-5-[(Z)-N-benzoxy-C-methyl-carbonimidoyl]-4-hydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-phenyl]-2-methyl-acrylamide Formula: C30H36N2O11 MolecularWeight: 600.61364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC2CC(C(O2)C(=NOCC3=CC=CC=C3)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=CC=CC=C3)/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/C30H36N2O11/c1-15(30(38)31-23-24(35)26(37)29-28(25(23)36)39-14-40-29)10-18-8-9-21(19(33)11-18)42-22-12-20(34)27(43-22)16(2)32-41-13-17-6-4-3-5-7-17/h3-11,20,22-29,33-37H,12-14H2,1-2H3,(H,31,38)/b15-10+,32-16-/t20-,22+,23+,24-,25+,26+,27+,28-,29+/m0/s1