1-(2-azanyl-3,3-dimethyl-butanoyl)-4-(6-methoxyisoquinolin-1-yl)oxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-4-(6-methoxyisoquinolin-1-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[(6-methoxy-1-isoquinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-4-[(6-methoxy-1-isoquinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[(6-methoxy-1-isoquinolyl)oxy]proline Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=NC=CC3=C2C=CC(=C3)OC)N

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=NC=CC3=C2C=CC(=C3)OC)N

InChI

InChI=1S/C21H27N3O5/c1-21(2,3)17(22)19(25)24-11-14(10-16(24)20(26)27)29-18-15-6-5-13(28-4)9-12(15)7-8-23-18/h5-9,14,16-17H,10-11,22H2,1-4H3,(H,26,27)