[(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] 3-[3-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethoxy]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] 3-[3-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethoxy]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] 3-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoate CAS Name: 3-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-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] 3-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoate Traditional Name: 3-[3-keto-3-(2,2,2-trifluoroethoxy)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: C41H47F3N2O12 MolecularWeight: 816.81329

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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(=C3)C=CC(=O)OCC(F)(F)F)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(=C3)C=CC(=O)OCC(F)(F)F)OC4(O2)CC5=CC=CC=C5C4)O

InChI

InChI=1S/C41H47F3N2O12/c1-23(48)34(37(52)45-29(21-47)13-15-33(50)57-39(2,3)4)46-36(51)28-17-30(35-31(18-28)56-40(58-35)19-26-9-5-6-10-27(26)20-40)55-38(53)25-11-7-8-24(16-25)12-14-32(49)54-22-41(42,43)44/h5-12,14,16,18,23,29-31,34-35,47-48H,13,15,17,19-22H2,1-4H3,(H,45,52)(H,46,51)/t23-,29-,30+,31+,34+,35-/m0/s1