4-(5-bromanylpyridin-3-yl)oxy-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(5-bromanylpyridin-3-yl)oxy-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[(5-bromo-3-pyridyl)oxy]-1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-bromo-3-pyridinyl)oxy]-1-[3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-bromopyridin-3-yl)oxy-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[(5-bromo-3-pyridyl)oxy]-1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]proline Formula: C21H30BrN3O6 MolecularWeight: 500.3834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30BrN3O6/c1-20(2,3)16(24-19(29)31-21(4,5)6)17(26)25-11-14(8-15(25)18(27)28)30-13-7-12(22)9-23-10-13/h7,9-10,14-16H,8,11H2,1-6H3,(H,24,29)(H,27,28)