[(3'aS,4'R,7'aR)-6'-[[3-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]methylcarbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[2-(2-hydroxyethyloxy)ethenyl]benzoate

Systemtic Name: [(3'aS,4'R,7'aR)-6'-[[3-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]methylcarbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[2-(2-hydroxyethyloxy)ethenyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[3-[[(1S)-4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]carbamoyl]phenyl]methylcarbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 2-[2-(2-hydroxyethoxy)vinyl]benzoate CAS Name: 2-[2-(2-hydroxyethoxy)ethenyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[[[3-[[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-oxomethyl]phenyl]methylamino]-oxomethyl]-4'-spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]yl] ester IUPAC Name: [(3'aS,4'R,7'aR)-6'-[[3-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]phenyl]methylcarbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[2-(2-hydroxyethoxy)ethenyl]benzoate Traditional Name: 2-[2-(2-hydroxyethoxy)vinyl]benzoic acid [(3aS,4R,7aR)-6-[[3-[[(1S)-4-tert-butoxy-4-keto-1-methylol-butyl]carbamoyl]benzyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C44H50N2O11 MolecularWeight: 782.8746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CO)NC(=O)C1=CC(=CC=C1)CNC(=O)C2=CC3C(C(C2)OC(=O)C4=CC=CC=C4C=COCCO)OC5(O3)CC6=CC=CC=C6C5

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=CC(=CC=C1)CNC(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC=C4C=COCCO)OC5(O3)CC6=CC=CC=C6C5

InChI

InChI=1S/C44H50N2O11/c1-43(2,3)56-38(49)16-15-34(27-48)46-41(51)30-13-8-9-28(21-30)26-45-40(50)33-22-36(54-42(52)35-14-7-6-10-29(35)17-19-53-20-18-47)39-37(23-33)55-44(57-39)24-31-11-4-5-12-32(31)25-44/h4-14,17,19,21,23,34,36-37,39,47-48H,15-16,18,20,22,24-27H2,1-3H3,(H,45,50)(H,46,51)/t34-,36+,37+,39-/m0/s1