3-(5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(5-methyl-3-oxo-isoxazol-4-yl)propanoic acid CAS Name: 3-(5-methyl-3-oxo-4-isoxazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(5-methyl-3-oxo-1,2-oxazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(3-keto-5-methyl-4-isoxazolin-4-yl)propionic acid Formula: C12H18N2O6 MolecularWeight: 286.28112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NO1)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=O)NO1)CC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C12H18N2O6/c1-6-7(9(15)14-20-6)5-8(10(16)17)13-11(18)19-12(2,3)4/h8H,5H2,1-4H3,(H,13,18)(H,14,15)(H,16,17)