(2S)-3-(5-bromanylpyridin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(5-bromanylpyridin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-3-(5-bromo-2-pyridyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2S)-3-(5-bromo-2-pyridinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(5-bromopyridin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-3-(5-bromo-2-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=NC=C(C=C1)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=NC=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C13H17BrN2O4/c1-13(2,3)20-12(19)16-10(11(17)18)6-9-5-4-8(14)7-15-9/h4-5,7,10H,6H2,1-3H3,(H,16,19)(H,17,18)/t10-/m0/s1