3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(pyrimidin-2-ylamino)propanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(pyrimidin-2-ylamino)propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-(pyrimidin-2-ylamino)propanoic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(2-pyrimidinylamino)propanoic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(pyrimidin-2-ylamino)propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-(2-pyrimidylamino)propionic acid Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(C(=O)O)NC1=NC=CC=N1

Isomeric SMILES

CC(C)(C)OC(=O)NCC(C(=O)O)NC1=NC=CC=N1

InChI

InChI=1S/C12H18N4O4/c1-12(2,3)20-11(19)15-7-8(9(17)18)16-10-13-5-4-6-14-10/h4-6,8H,7H2,1-3H3,(H,15,19)(H,17,18)(H,13,14,16)