[(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-[3-(dimethylamino)-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] 4-[3-(dimethylamino)-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] 4-[3-(dimethylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[3-(dimethylamino)-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] 4-[3-(dimethylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[3-(dimethylamino)-3-keto-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: C42H51N3O10 MolecularWeight: 757.86844

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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=CC(=O)N(C)C)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=CC(=O)N(C)C)OC5(O3)CC6=CC=CC=C6C5

InChI

InChI=1S/C42H51N3O10/c1-41(2,3)54-36(48)19-17-31(25-46)43-38(49)32-11-8-20-45(32)39(50)30-21-33(52-40(51)27-15-12-26(13-16-27)14-18-35(47)44(4)5)37-34(22-30)53-42(55-37)23-28-9-6-7-10-29(28)24-42/h6-7,9-10,12-16,18,22,31-34,37,46H,8,11,17,19-21,23-25H2,1-5H3,(H,43,49)/t31-,32+,33+,34+,37-/m0/s1