[(3'aS,4'R,7'aR)-6'-[[(2R,3S)-1-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-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-(dimethylamino)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: [(3'aS,4'R,7'aR)-6'-[[(2R,3S)-1-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-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-(dimethylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[(1R,2S)-1-[[(1S)-4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 2-[3-(dimethylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 2-[3-(dimethylamino)-3-oxoprop-1-enyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[[[(2R,3S)-3-hydroxy-1-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-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-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[3-(dimethylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 2-[3-(dimethylamino)-3-keto-prop-1-enyl]benzoic acid [(3aS,4R,7aR)-6-[[(1R,2S)-1-[[(1S)-4-tert-butoxy-4-keto-1-methylol-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C41H51N3O11 MolecularWeight: 761.85714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCC(=O)OC(C)(C)C)CO)NC(=O)C1=CC2C(C(C1)OC(=O)C3=CC=CC=C3C=CC(=O)N(C)C)OC4(O2)CC5=CC=CC=C5C4)O

Isomeric SMILES

C[C@@H]([C@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3C=CC(=O)N(C)C)OC4(O2)CC5=CC=CC=C5C4)O

InChI

InChI=1S/C41H51N3O11/c1-24(46)35(38(50)42-29(23-45)16-18-34(48)54-40(2,3)4)43-37(49)28-19-31(52-39(51)30-14-10-9-11-25(30)15-17-33(47)44(5)6)36-32(20-28)53-41(55-36)21-26-12-7-8-13-27(26)22-41/h7-15,17,20,24,29,31-32,35-36,45-46H,16,18-19,21-23H2,1-6H3,(H,42,50)(H,43,49)/t24-,29-,31+,32+,35+,36-/m0/s1