[(3'aS,4'R,7'aR)-6'-[[3-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 3-[3-[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl]oxy-3-oxidanylidene-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]amino]-3-oxidanylidene-propyl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 3-[3-[(3R)-4,4-dimethyl-2-oxidanylidene-oxolan-3-yl]oxy-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: [(3aS,4R,7aR)-6-[[3-[[(1S)-4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]amino]-3-oxo-propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 3-[3-[(3R)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl]oxy-3-oxo-prop-1-enyl]benzoate CAS Name: 3-[3-[[(3R)-4,4-dimethyl-2-oxo-3-oxolanyl]oxy]-3-oxoprop-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]-3-oxopropyl]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'-[[3-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-3-oxopropyl]carbamoyl]spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 3-[3-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]oxy-3-oxoprop-1-enyl]benzoate Traditional Name: 3-[3-keto-3-[(3R)-2-keto-4,4-dimethyl-tetrahydrofuran-3-yl]oxy-prop-1-enyl]benzoic acid [(3aS,4R,7aR)-6-[[3-[[(1S)-4-tert-butoxy-4-keto-1-methylol-butyl]amino]-3-keto-propyl]carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C44H52N2O13 MolecularWeight: 816.88928

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)C1OC(=O)C=CC2=CC(=CC=C2)C(=O)OC3CC(=CC4C3OC5(O4)CC6=CC=CC=C6C5)C(=O)NCCC(=O)NC(CCC(=O)OC(C)(C)C)CO)C

Isomeric SMILES

CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC(=CC=C2)C(=O)O[C@@H]3CC(=C[C@@H]4[C@H]3OC5(O4)CC6=CC=CC=C6C5)C(=O)NCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)C

InChI

InChI=1S/C44H52N2O13/c1-42(2,3)58-36(50)16-14-31(24-47)46-34(48)17-18-45-39(51)30-20-32(37-33(21-30)57-44(59-37)22-28-10-6-7-11-29(28)23-44)55-40(52)27-12-8-9-26(19-27)13-15-35(49)56-38-41(53)54-25-43(38,4)5/h6-13,15,19,21,31-33,37-38,47H,14,16-18,20,22-25H2,1-5H3,(H,45,51)(H,46,48)/t31-,32+,33+,37-,38-/m0/s1