[(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] 4-iodanylbenzoate

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] 4-iodanylbenzoate 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] 4-iodobenzoate CAS Name: 4-iodobenzoic 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] 4-iodobenzoate Traditional Name: 4-iodobenzoic 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: C37H43IN2O9 MolecularWeight: 786.64979

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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=C(C=C4)I)OC5(O3)CC6=CC=CC=C6C5

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=C(C=C4)I)OC5(O3)CC6=CC=CC=C6C5

InChI

InChI=1S/C37H43IN2O9/c1-36(2,3)48-31(42)15-14-27(21-41)39-33(43)28-9-6-16-40(28)34(44)25-17-29(46-35(45)22-10-12-26(38)13-11-22)32-30(18-25)47-37(49-32)19-23-7-4-5-8-24(23)20-37/h4-5,7-8,10-13,18,27-30,32,41H,6,9,14-17,19-21H2,1-3H3,(H,39,43)/t27-,28+,29+,30+,32-/m0/s1