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

Systemtic Name: 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(3-methoxyisoquinolin-1-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(3-methoxy-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-methoxy-1-isoquinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(3-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(3-methoxy-1-isoquinolyl)oxy]proline Formula: C26H35N3O7 MolecularWeight: 501.572

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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)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O7/c1-25(2,3)20(28-24(33)36-26(4,5)6)22(30)29-14-16(13-18(29)23(31)32)35-21-17-11-9-8-10-15(17)12-19(27-21)34-7/h8-12,16,18,20H,13-14H2,1-7H3,(H,28,33)(H,31,32)