[(3'aS,4'R,7'aR)-6'-[methyl-[(2R)-1-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]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'-[methyl-[(2R)-1-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]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-[[(1R)-1-benzyl-2-[[(1S)-4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]amino]-2-oxo-ethyl]-methyl-carbamoyl]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'-[[[(2R)-1-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-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'-[[(2R)-1-[[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-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-[[(1R)-1-benzyl-2-[[(1S)-4-tert-butoxy-4-keto-1-methylol-butyl]amino]-2-keto-ethyl]-methyl-carbamoyl]spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] ester Formula: C51H56N2O10 MolecularWeight: 856.99774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CO)NC(=O)C(CC1=CC=CC=C1)N(C)C(=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)[C@@H](CC1=CC=CC=C1)N(C)C(=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/C51H56N2O10/c1-50(2,3)62-45(56)26-25-39(32-54)52-47(57)41(27-33-15-6-5-7-16-33)53(4)48(58)38-28-43(46-44(29-38)61-51(63-46)30-36-19-8-9-20-37(36)31-51)60-49(59)40-23-12-10-17-34(40)21-14-22-35-18-11-13-24-42(35)55/h5-21,23-24,29,39,41,43-44,46,54-55H,22,25-28,30-32H2,1-4H3,(H,52,57)/t39-,41+,43+,44+,46-/m0/s1