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

Systemtic Name: 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(3-methylisoquinolin-1-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(3-methyl-1-isoquinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-[3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-4-[(3-methyl-1-isoquinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(3-methylisoquinolin-1-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(3-methyl-1-isoquinolyl)oxy]proline Formula: C26H35N3O6 MolecularWeight: 485.5726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=N1)OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=N1)OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C26H35N3O6/c1-15-12-16-10-8-9-11-18(16)21(27-15)34-17-13-19(23(31)32)29(14-17)22(30)20(25(2,3)4)28-24(33)35-26(5,6)7/h8-12,17,19-20H,13-14H2,1-7H3,(H,28,33)(H,31,32)