CAS Registry Number: 149057-19-2

Name:

1,​2,​4-​Piperazinetricarboxy​lic acid, 1-​(1,​1-​dimethylethyl) 4-​(phenylmethyl) ester
1,​2,​4-​Piperazinetricarboxy​lic acid, 1-​(1,​1-​dimethylethyl) 4-​(phenylmethyl) ester, (±)​-; 4-​(Benzyloxycarbonyl)​-​1-​(tert-​butoxycarbonyl)​piperazine-​2-​carboxylic acid 

Chemical Formula: C18H24N2O6
Exact Mass: 364.16
Molecular Weight: 364.39
m/z: 364.16 (100.0%), 365.17 (20.0%), 366.17 (3.1%)
Elemental Analysis: C, 59.33; H, 6.64; N, 7.69; O, 26.34

InChI: InChI=1S/C18H24N2O6/c1-18(2,3)26-17(24)20-10-9-19(11-14(20)15(21)22)16(23)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)
InChIKey: SREPAMKILVVDSP-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)C(=O)OCC2=CC=CC=C2

Specification

98%

PCT Int. Appl. (2014), WO 2014001802 A1 20140103.

PCT Int. Appl. (2012), WO 2012080705 A1 20120621.