[(3'aS,4'R,7'aR)-6'-[[3-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]methylcarbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[3-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethoxy]prop-1-enyl]benzoate

Systemtic Name: [(3'aS,4'R,7'aR)-6'-[[3-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]methylcarbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[3-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethoxy]prop-1-enyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[3-[[(1S)-4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]carbamoyl]phenyl]methylcarbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 4-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoate CAS Name: 4-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoic acid [(3'aS,4'R,7'aR)-6'-[[[3-[[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-oxomethyl]phenyl]methylamino]-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'-[[3-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]phenyl]methylcarbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 4-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoate Traditional Name: 4-[3-keto-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoic acid [(3aS,4R,7aR)-6-[[3-[[(1S)-4-tert-butoxy-4-keto-1-methylol-butyl]carbamoyl]benzyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C45H47F3N2O11 MolecularWeight: 848.85669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CO)NC(=O)C1=CC(=CC=C1)CNC(=O)C2=CC3C(C(C2)OC(=O)C4=CC=C(C=C4)C=CC(=O)OCC(F)(F)F)OC5(O3)CC6=CC=CC=C6C5

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=CC(=CC=C1)CNC(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=C(C=C4)C=CC(=O)OCC(F)(F)F)OC5(O3)CC6=CC=CC=C6C5

InChI

InChI=1S/C45H47F3N2O11/c1-43(2,3)60-38(53)18-16-34(25-51)50-41(55)30-10-6-7-28(19-30)24-49-40(54)33-20-35(39-36(21-33)59-44(61-39)22-31-8-4-5-9-32(31)23-44)58-42(56)29-14-11-27(12-15-29)13-17-37(52)57-26-45(46,47)48/h4-15,17,19,21,34-36,39,51H,16,18,20,22-26H2,1-3H3,(H,49,54)(H,50,55)/t34-,35+,36+,39-/m0/s1