3,3-dimethyl-2-[2-(2-oxidanylidenepyrimidin-1-yl)ethanoylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[2-(2-oxidanylidenepyrimidin-1-yl)ethanoylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[1-oxo-2-(2-oxo-1-pyrimidinyl)ethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-ketopyrimidin-1-yl)acetyl]amino]-3,3-dimethyl-butyric acid Formula: C12H17N3O4 MolecularWeight: 267.28108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)CN1C=CC=NC1=O

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)CN1C=CC=NC1=O

InChI

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