[(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] 2-[3-[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl]oxy-3-oxidanylidene-prop-1-enyl]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] 2-[3-[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl]oxy-3-oxidanylidene-prop-1-enyl]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] 2-[3-[(3R)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl]oxy-3-oxo-prop-1-enyl]benzoate CAS Name: 2-[3-[[(3R)-4,4-dimethyl-2-oxo-3-oxolanyl]oxy]-3-oxoprop-1-enyl]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] 2-[3-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]oxy-3-oxoprop-1-enyl]benzoate Traditional Name: 2-[3-keto-3-[(3R)-2-keto-4,4-dimethyl-tetrahydrofuran-3-yl]oxy-prop-1-enyl]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: C46H54N2O13 MolecularWeight: 842.92656

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)C1OC(=O)C=CC2=CC=CC=C2C(=O)OC3CC(=CC4C3OC5(O4)CC6=CC=CC=C6C5)C(=O)N7CCCC7C(=O)NC(CCC(=O)OC(C)(C)C)CO)C

Isomeric SMILES

CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=CC=C2C(=O)O[C@@H]3CC(=C[C@@H]4[C@H]3OC5(O4)CC6=CC=CC=C6C5)C(=O)N7CCC[C@@H]7C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)C

InChI

InChI=1S/C46H54N2O13/c1-44(2,3)60-37(51)19-17-31(25-49)47-40(52)33-15-10-20-48(33)41(53)30-21-34(38-35(22-30)59-46(61-38)23-28-12-6-7-13-29(28)24-46)57-42(54)32-14-9-8-11-27(32)16-18-36(50)58-39-43(55)56-26-45(39,4)5/h6-9,11-14,16,18,22,31,33-35,38-39,49H,10,15,17,19-21,23-26H2,1-5H3,(H,47,52)/t31-,33+,34+,35+,38-,39-/m0/s1