(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrimidin-5-yl-propanoate

Systemtic Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrimidin-5-yl-propanoate Openeye Name: (3S)-3-(tert-butoxycarbonylamino)-3-pyrimidin-5-yl-propanoate CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(5-pyrimidinyl)propanoate IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrimidin-5-ylpropanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-3-(5-pyrimidyl)propionate Formula: C12H16N3O4- MolecularWeight: 266.27314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)[O-])C1=CN=CN=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C1=CN=CN=C1

InChI

InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-9(4-10(16)17)8-5-13-7-14-6-8/h5-7,9H,4H2,1-3H3,(H,15,18)(H,16,17)/p-1/t9-/m0/s1