4-(2-bromanylpyridin-4-yl)oxy-1-[2-(cyclopentyloxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(2-bromanylpyridin-4-yl)oxy-1-[2-(cyclopentyloxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[(2-bromo-4-pyridyl)oxy]-1-[2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[(2-bromo-4-pyridinyl)oxy]-1-[2-[[cyclopentyloxy(oxo)methyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(2-bromopyridin-4-yl)oxy-1-[2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[(2-bromo-4-pyridyl)oxy]-1-[2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]proline Formula: C22H30BrN3O6 MolecularWeight: 512.3941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=CC(=NC=C2)Br)NC(=O)OC3CCCC3

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=CC(=NC=C2)Br)NC(=O)OC3CCCC3

InChI

InChI=1S/C22H30BrN3O6/c1-22(2,3)18(25-21(30)32-13-6-4-5-7-13)19(27)26-12-15(10-16(26)20(28)29)31-14-8-9-24-17(23)11-14/h8-9,11,13,15-16,18H,4-7,10,12H2,1-3H3,(H,25,30)(H,28,29)