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

Systemtic Name: [(3'aS,4'R,7'aR)-6'-[(2R)-2-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonylspiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[2-(2-hydroxyethyloxy)ethenyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[(2R)-2-[[(1S)-4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]carbamoyl]pyrrolidine-1-carbonyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 4-[2-(2-hydroxyethoxy)vinyl]benzoate CAS Name: 4-[2-(2-hydroxyethoxy)ethenyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[[(2R)-2-[[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-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'-[(2R)-2-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[2-(2-hydroxyethoxy)ethenyl]benzoate Traditional Name: 4-[2-(2-hydroxyethoxy)vinyl]benzoic acid [(3aS,4R,7aR)-6-[(2R)-2-[[(1S)-4-tert-butoxy-4-keto-1-methylol-butyl]carbamoyl]pyrrolidine-1-carbonyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C41H50N2O11 MolecularWeight: 746.8425

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CO)NC(=O)C1CCCN1C(=O)C2=CC3C(C(C2)OC(=O)C4=CC=C(C=C4)C=COCCO)OC5(O3)CC6=CC=CC=C6C5

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=C(C=C4)C=COCCO)OC5(O3)CC6=CC=CC=C6C5

InChI

InChI=1S/C41H50N2O11/c1-40(2,3)53-35(46)15-14-31(25-45)42-37(47)32-9-6-17-43(32)38(48)30-21-33(51-39(49)27-12-10-26(11-13-27)16-19-50-20-18-44)36-34(22-30)52-41(54-36)23-28-7-4-5-8-29(28)24-41/h4-5,7-8,10-13,16,19,22,31-34,36,44-45H,6,9,14-15,17-18,20-21,23-25H2,1-3H3,(H,42,47)/t31-,32+,33+,34+,36-/m0/s1