[(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] 2-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]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] 2-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]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] 2-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)vinyl]benzoate CAS Name: 2-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]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] 2-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoate Traditional Name: 2-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)vinyl]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: C45H54N2O10 MolecularWeight: 782.91766

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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=CC=C4C=CC5CCC6C(C5)O6)OC7(O3)CC8=CC=CC=C8C7

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=CC=C4C=CC5CCC6C(C5)O6)OC7(O3)CC8=CC=CC=C8C7

InChI

InChI=1S/C45H54N2O10/c1-44(2,3)56-39(49)19-17-32(26-48)46-41(50)34-13-8-20-47(34)42(51)31-22-37(40-38(23-31)55-45(57-40)24-29-10-4-5-11-30(29)25-45)54-43(52)33-12-7-6-9-28(33)16-14-27-15-18-35-36(21-27)53-35/h4-7,9-12,14,16,23,27,32,34-38,40,48H,8,13,15,17-22,24-26H2,1-3H3,(H,46,50)/t27?,32-,34+,35?,36?,37+,38+,40-/m0/s1