1-[2-cyclohexyl-2-(2,2-dimethylpropoxycarbonylamino)ethanoyl]-4-(1,3-dihydroisoindol-2-ylcarbonyloxy)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-cyclohexyl-2-(2,2-dimethylpropoxycarbonylamino)ethanoyl]-4-(1,3-dihydroisoindol-2-ylcarbonyloxy)pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-cyclohexyl-2-(2,2-dimethylpropoxycarbonylamino)acetyl]-4-(isoindoline-2-carbonyloxy)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-cyclohexyl-2-[[2,2-dimethylpropoxy(oxo)methyl]amino]-1-oxoethyl]-4-[1,3-dihydroisoindol-2-yl(oxo)methoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-cyclohexyl-2-(2,2-dimethylpropoxycarbonylamino)acetyl]-4-(1,3-dihydroisoindole-2-carbonyloxy)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-cyclohexyl-2-(neopentyloxycarbonylamino)acetyl]-4-(isoindoline-2-carbonyloxy)proline Formula: C28H39N3O7 MolecularWeight: 529.62516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)O)OC(=O)N3CC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)COC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)O)OC(=O)N3CC4=CC=CC=C4C3

InChI

InChI=1S/C28H39N3O7/c1-28(2,3)17-37-26(35)29-23(18-9-5-4-6-10-18)24(32)31-16-21(13-22(31)25(33)34)38-27(36)30-14-19-11-7-8-12-20(19)15-30/h7-8,11-12,18,21-23H,4-6,9-10,13-17H2,1-3H3,(H,29,35)(H,33,34)