2-{3-[(2S,5S)-5-(4-Hydroxybenzyl)-4-Methyl-3,6-Dioxo-2-Piperazinyl]Propyl}Guanidine

Molecule SVG Image

Properties Simple | Detailed

Formula C16H23N5O3
IUPAC Name 2-[3-[(2s,5s)-5-[(4-hydroxyphenyl)methyl]-4-methyl-3,6-dioxo-piperazin-2-yl]propyl]guanidine
Molecular Mass 333.386 g·mol−1
Heat of Formation -436.4 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 405.7 Å 3
Surface Area 330.05 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[(2s,5s)-5-(4-hydroxybenzyl)-3,6-diketo-4-methyl-piperazin-2-yl]propyl]guanidine
  • 2-[3-[(2s,5s)-5-[(4-hydroxyphenyl)methyl]-4-methyl-3,6-dioxo-2-piperazinyl]propyl]guanidine
  • 2-[3-[(2s,5s)-5-[(4-hydroxyphenyl)methyl]-4-methyl-3,6-dioxo-piperazin-2-yl]propyl]guanidine
  • 2-[3-[(2s,5s)-5-[(4-hydroxyphenyl)methyl]-4-methyl-3,6-dioxopiperazin-2-yl]propyl]guanidine
  • cyclo nmta
  • cyclo(n-methyl-tyr-arg)
  • cyclo(n-methyltyrosylarginyl)
  • cyclo(n-metyr-arg)
  • guanidine, (3-(5-((4-hydroxyphenyl)methyl)-4-methyl-3,6-dioxo-2-piperazinyl)propyl)-, (2s-cis)-
CAS Number(s)
  • 83481-39-4
InChIKey KYHXMYWZVDKAAH-STQMWFEESA-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