(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrimidin-4-yl-propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrimidin-4-yl-propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-pyrimidin-4-yl-propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-pyrimidinyl)propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrimidin-4-ylpropanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-pyrimidyl)propionic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-9(10(16)17)6-8-4-5-13-7-14-8/h4-5,7,9H,6H2,1-3H3,(H,15,18)(H,16,17)/t9-/m0/s1