(2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid

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

Cite this Page

(2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5262-10-2 (retrieved 2024-11-24) (CAS RN: 5262-10-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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

CAS INSIGHTSTM
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