1053656-74-8 Purity
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Specification
The molecular formula is C11H17NO4.
The molecular weight is 227.26 g/mol.
The IUPAC name is (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-ynoic acid.
The InChI is InChI=1S/C11H17NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h1,8H,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m1/s1.
The InChIKey is DPHIBCOGEUVKGB-MRVPVSSYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)NC(CCC#C)C(=O)O.
The isomeric SMILES is CC(C)(C)OC(=O)N[C@H](CCC#C)C(=O)O.
The CAS number is 1217464-82-8.
The European Community (EC) number is 693-583-1.
Yes, (R)-2-(Boc-amino)-5-hexynoic acid is a canonicalized compound.