[(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] 2-[3-(2-hydroxyphenyl)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] 2-[3-(2-hydroxyphenyl)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] 2-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate CAS Name: 2-[3-(2-hydroxyphenyl)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] 2-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate Traditional Name: 2-[3-(2-hydroxyphenyl)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: C49H52N2O10 MolecularWeight: 828.94458

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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=CC=C4C=CCC5=CC=CC=C5O)OC6(O3)CC7=CC=CC=C7C6

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=CC=C4C=CCC5=CC=CC=C5O)OC6(O3)CC7=CC=CC=C7C6

InChI

InChI=1S/C49H52N2O10/c1-48(2,3)60-43(54)23-22-38(30-52)51-46(56)34-19-10-12-31(24-34)29-50-45(55)37-25-41(44-42(26-37)59-49(61-44)27-35-15-4-5-16-36(35)28-49)58-47(57)39-20-8-6-13-32(39)17-11-18-33-14-7-9-21-40(33)53/h4-17,19-21,24,26,38,41-42,44,52-53H,18,22-23,25,27-30H2,1-3H3,(H,50,55)(H,51,56)/t38-,41+,42+,44-/m0/s1