(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)-4-oxidanyl-5-[(E)-4-phenoxybut-2-en-2-yl]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)-4-oxidanyl-5-[(E)-4-phenoxybut-2-en-2-yl]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)-4-hydroxy-5-[(E)-1-methyl-3-phenoxy-prop-1-enyl]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)-4-hydroxy-5-[(E)-4-phenoxybut-2-en-2-yl]-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)-4-hydroxy-5-[(E)-4-phenoxybut-2-en-2-yl]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-[3-amino-4-[(2S,4S,5R)-4-hydroxy-5-[(E)-1-methyl-3-phenoxy-prop-1-enyl]tetrahydrofuran-2-yl]oxy-phenyl]-2-methyl-acrylamide Formula: C31H38N2O10 MolecularWeight: 598.64082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=CC=CC=C1)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

C/C(=C\COC1=CC=CC=C1)/[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/C31H38N2O10/c1-16(10-11-39-19-6-4-3-5-7-19)28-21(34)14-23(43-28)42-22-9-8-18(13-20(22)32)12-17(2)31(38)33-24-25(35)27(37)30-29(26(24)36)40-15-41-30/h3-10,12-13,21,23-30,34-37H,11,14-15,32H2,1-2H3,(H,33,38)/b16-10+,17-12+/t21-,23+,24+,25-,26+,27+,28+,29-,30+/m0/s1