CAS Registry Number®
5262-10-2
CAS Name
(2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid
Molecular Formula
C13H14N2O4
Molecular Mass
262.26
Other Names and Identifiers
InChI
InChI=1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)/t9-,10-/m0/s1
InChIKey
InChIKey=VNHJXYUDIBQDDX-UWVGGRQHSA-N
SMILES
C([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1)C2=CC=CC=C2
Canonical SMILES
O=C(O)CC1NC(=O)C(NC1=O)CC=2C=CC=CC2
Other Names for this Substance
- 2-Piperazineacetic acid, 3,6-dioxo-5-(phenylmethyl)-, (2S,5S)-
- 2-Piperazineacetic acid, 5-benzyl-3,6-dioxo-
- 2-Piperazineacetic acid, 3,6-dioxo-5-(phenylmethyl)-, (2S–cis)-
- (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid
- Cycloaspartylphenylalanine
Deleted or Replaced CAS Registry Numbers
110882-71-8
