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

Systemtic Name: 4-(3-cyclopropylisoquinolin-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-cyclopropyl-1-isoquinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-cyclopropyl-1-isoquinolinyl)oxy]-1-[3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-cyclopropylisoquinolin-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-cyclopropyl-1-isoquinolyl)oxy]proline Formula: C28H37N3O6 MolecularWeight: 511.60988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=NC(=CC3=CC=CC=C32)C4CC4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=NC(=CC3=CC=CC=C32)C4CC4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H37N3O6/c1-27(2,3)22(30-26(35)37-28(4,5)6)24(32)31-15-18(14-21(31)25(33)34)36-23-19-10-8-7-9-17(19)13-20(29-23)16-11-12-16/h7-10,13,16,18,21-22H,11-12,14-15H2,1-6H3,(H,30,35)(H,33,34)