4-(2-bromanyl-6-methyl-pyridin-4-yl)oxy-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(2-bromanyl-6-methyl-pyridin-4-yl)oxy-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[(2-bromo-6-methyl-4-pyridyl)oxy]-1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[(2-bromo-6-methyl-4-pyridinyl)oxy]-1-[3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(2-bromo-6-methylpyridin-4-yl)oxy-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[(2-bromo-6-methyl-4-pyridyl)oxy]-1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]proline Formula: C22H32BrN3O6 MolecularWeight: 514.40998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C1)OC2CC(N(C2)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O)Br

Isomeric SMILES

CC1=NC(=CC(=C1)OC2CC(N(C2)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O)Br

InChI

InChI=1S/C22H32BrN3O6/c1-12-8-13(10-16(23)24-12)31-14-9-15(19(28)29)26(11-14)18(27)17(21(2,3)4)25-20(30)32-22(5,6)7/h8,10,14-15,17H,9,11H2,1-7H3,(H,25,30)(H,28,29)