tert-butyl 4-[[5-(methylcarbamoyl)-6-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]carbamoyl]-1,3-dihydroisoindol-2-yl]carbonyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-(methylcarbamoyl)-6-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]carbamoyl]-1,3-dihydroisoindol-2-yl]carbonyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-[[(2S)-3-tert-butoxy-3-oxo-2-(p-tolylsulfonylamino)propyl]carbamoyl]-6-(methylcarbamoyl)isoindoline-2-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[5-(methylcarbamoyl)-6-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-oxomethyl]-1,3-dihydroisoindol-2-yl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(methylcarbamoyl)-6-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoyl]-1,3-dihydroisoindole-2-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[5-[[(2S)-3-tert-butoxy-3-keto-2-(tosylamino)propyl]carbamoyl]-6-(methylcarbamoyl)isoindoline-2-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C36H49N5O9S MolecularWeight: 727.86736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC3=C(CN(C3)C(=O)C4CCN(CC4)C(=O)OC(C)(C)C)C=C2C(=O)NC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CNC(=O)C2=CC3=C(CN(C3)C(=O)C4CCN(CC4)C(=O)OC(C)(C)C)C=C2C(=O)NC)C(=O)OC(C)(C)C

InChI

InChI=1S/C36H49N5O9S/c1-22-9-11-26(12-10-22)51(47,48)39-29(33(45)49-35(2,3)4)19-38-31(43)28-18-25-21-41(20-24(25)17-27(28)30(42)37-8)32(44)23-13-15-40(16-14-23)34(46)50-36(5,6)7/h9-12,17-18,23,29,39H,13-16,19-21H2,1-8H3,(H,37,42)(H,38,43)/t29-/m0/s1