3-(2-cyano-1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2-cyano-1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(2-cyano-1H-imidazol-5-yl)propanoic acid CAS Name: 3-(2-cyano-1H-imidazol-5-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-cyano-1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(2-cyano-1H-imidazol-5-yl)propionic acid Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=C(N1)C#N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN=C(N1)C#N)C(=O)O

InChI

InChI=1S/C12H16N4O4/c1-12(2,3)20-11(19)16-8(10(17)18)4-7-6-14-9(5-13)15-7/h6,8H,4H2,1-3H3,(H,14,15)(H,16,19)(H,17,18)