3-(6-bromanylpyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(6-bromanylpyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(6-bromo-3-pyridyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-(6-bromo-3-pyridinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(6-bromopyridin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(6-bromo-3-pyridyl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C13H17BrN2O4 MolecularWeight: 345.18908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=C(C=C1)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C13H17BrN2O4/c1-13(2,3)20-12(19)16-9(11(17)18)6-8-4-5-10(14)15-7-8/h4-5,7,9H,6H2,1-3H3,(H,16,19)(H,17,18)