[(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-(2-hydroxyphenyl)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-(2-hydroxyphenyl)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-(2-hydroxyphenyl)prop-1-enyl]benzoate CAS Name: 3-[3-(2-hydroxyphenyl)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-(2-hydroxyphenyl)prop-1-enyl]benzoate Traditional Name: 3-[3-(2-hydroxyphenyl)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: C45H52N2O11 MolecularWeight: 796.90118

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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=CCC4=CC=CC=C4O)OC5(O2)CC6=CC=CC=C6C5)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=CCC4=CC=CC=C4O)OC5(O2)CC6=CC=CC=C6C5)O

InChI

InChI=1S/C45H52N2O11/c1-27(49)39(42(53)46-34(26-48)19-20-38(51)57-44(2,3)4)47-41(52)33-22-36(40-37(23-33)56-45(58-40)24-31-14-5-6-15-32(31)25-45)55-43(54)30-17-10-12-28(21-30)11-9-16-29-13-7-8-18-35(29)50/h5-15,17-18,21,23,27,34,36-37,39-40,48-50H,16,19-20,22,24-26H2,1-4H3,(H,46,53)(H,47,52)/t27-,34-,36+,37+,39+,40-/m0/s1