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

Systemtic Name: 4-[(2-bromanylpyridin-4-yl)oxymethyl]-1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[(2-bromo-4-pyridyl)oxymethyl]-1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[(2-bromo-4-pyridinyl)oxymethyl]-1-[2-(methoxycarbonylamino)-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[(2-bromopyridin-4-yl)oxymethyl]-1-[2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[(2-bromo-4-pyridyl)oxymethyl]-1-[2-(carbomethoxyamino)-3,3-dimethyl-butanoyl]proline Formula: C19H26BrN3O6 MolecularWeight: 472.33024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)COC2=CC(=NC=C2)Br)NC(=O)OC

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)COC2=CC(=NC=C2)Br)NC(=O)OC

InChI

InChI=1S/C19H26BrN3O6/c1-19(2,3)15(22-18(27)28-4)16(24)23-9-11(7-13(23)17(25)26)10-29-12-5-6-21-14(20)8-12/h5-6,8,11,13,15H,7,9-10H2,1-4H3,(H,22,27)(H,25,26)