Histidylproline Diketopiperazine

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16N4O2
IUPAC Name (3s,9as)-3-(1h-imidazol-5-ylmethyl)-3,6,7,8,9,9a-hexahydro-2h-pyrido[1,2-a]pyrazine-1,4-dione
Molecular Mass 248.281 g·mol−1
Heat of Formation -265.4 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 291.1 Å 3
Surface Area 257.19 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 3.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,9as)-3-(3h-imidazol-4-ylmethyl)-3,6,7,8,9,9a-hexahydro-2h-pyrido[2,1-f]pyrazine-1,4-dione
  • (3s,9as)-3-(3h-imidazol-4-ylmethyl)-3,6,7,8,9,9a-hexahydro-2h-pyrido[2,1-f]pyrazine-1,4-quinone
  • cyclo(his-pro)
  • cyclo(histidyl-prolyl)
  • his-pro-dkp
  • histidyl-proline diketopiperazine
  • histidyl-proline-diketopiperazine
  • pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1h-imidazol-4-ylmethyl)-, (3s-trans)-
CAS Number(s)
  • 4257-92-5
InChIKey LCXWQHWWTPOAFI-UWVGGRQHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N