[(3'aS,4'R,7'aR)-6'-[[(2R,3S)-1-(2-hydroxyethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]spiro[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,3S)-1-(2-hydroxyethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]spiro[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-[[(1R,2S)-2-hydroxy-1-(2-hydroxyethylcarbamoyl)propyl]carbamoyl]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,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]amino]-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,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]carbamoyl]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-[[(1R,2S)-2-hydroxy-1-(2-hydroxyethylcarbamoyl)propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C38H42N2O12 MolecularWeight: 718.74628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCCO)NC(=O)C1=CC2C(C(C1)OC(=O)C3=CC=CC=C3C=CC(=O)OC4C(=O)OCC4(C)C)OC5(O2)CC6=CC=CC=C6C5)O

Isomeric SMILES

C[C@@H]([C@H](C(=O)NCCO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3C=CC(=O)O[C@H]4C(=O)OCC4(C)C)OC5(O2)CC6=CC=CC=C6C5)O

InChI

InChI=1S/C38H42N2O12/c1-21(42)30(34(45)39-14-15-41)40-33(44)25-16-27(31-28(17-25)51-38(52-31)18-23-9-4-5-10-24(23)19-38)49-35(46)26-11-7-6-8-22(26)12-13-29(43)50-32-36(47)48-20-37(32,2)3/h4-13,17,21,27-28,30-32,41-42H,14-16,18-20H2,1-3H3,(H,39,45)(H,40,44)/t21-,27+,28+,30+,31-,32-/m0/s1