1-[4-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]-2-phenylmethoxycarbonyl-phenyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]-2-phenylmethoxycarbonyl-phenyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-benzyloxycarbonyl-4-[[1-(hydroxymethyl)-2,2-dimethyl-propyl]carbamoyl]phenyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-oxomethyl]-2-phenylmethoxycarbonylphenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[(1-hydroxy-3,3-dimethylbutan-2-yl)carbamoyl]-2-phenylmethoxycarbonylphenyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-carbobenzoxy-4-[(2,2-dimethyl-1-methylol-propyl)carbamoyl]phenyl]proline Formula: C26H32N2O6 MolecularWeight: 468.54208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CO)NC(=O)C1=CC(=C(C=C1)N2CCCC2C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(CO)NC(=O)C1=CC(=C(C=C1)N2CCCC2C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O6/c1-26(2,3)22(15-29)27-23(30)18-11-12-20(28-13-7-10-21(28)24(31)32)19(14-18)25(33)34-16-17-8-5-4-6-9-17/h4-6,8-9,11-12,14,21-22,29H,7,10,13,15-16H2,1-3H3,(H,27,30)(H,31,32)