4-(3-cyanoisoquinolin-1-yl)oxy-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-cyanoisoquinolin-1-yl)oxy-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(3-cyano-1-isoquinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-cyano-1-isoquinolinyl)oxy]-1-[3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-cyanoisoquinolin-1-yl)oxy-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(3-cyano-1-isoquinolyl)oxy]proline Formula: C26H32N4O6 MolecularWeight: 496.55548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=NC(=CC3=CC=CC=C32)C#N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=NC(=CC3=CC=CC=C32)C#N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H32N4O6/c1-25(2,3)20(29-24(34)36-26(4,5)6)22(31)30-14-17(12-19(30)23(32)33)35-21-18-10-8-7-9-15(18)11-16(13-27)28-21/h7-11,17,19-20H,12,14H2,1-6H3,(H,29,34)(H,32,33)