(3S,6S)-3-(1H-Imidazol-5-Ylmethyl)-6-Isobutyl-2,5-Piperazinedione

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Properties Simple | Detailed

Formula C12H18N4O2
IUPAC Name (3s,6s)-3-(imidazol-3-ium-4-ylium-4-ylmethyl)-6-isobutyl-piperazine-2,5-dione
Molecular Mass 250.297 g·mol−1
Heat of Formation -310.2 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 305.0 Å 3
Surface Area 275.99 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s)-3-(3h-imidazol-4-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
  • (3s,6s)-3-(3h-imidazol-4-ylmethyl)-6-isobutyl-piperazine-2,5-dione
  • (3s,6s)-3-(3h-imidazol-4-ylmethyl)-6-isobutyl-piperazine-2,5-quinone
  • (3s,6s)-3-(3h-imidazol-4-ylmethyl)-6-isobutylpiperazine-2,5-dione
  • 2,5-piperazinedione, 3-(1h-imidazol-4-ylmethyl)-6-(2-methylpropyl)-, (3s-cis)-
  • cyclo(his-leu)
  • cyclo(histidyl-leucyl)
  • cyclo(l-his-l-leu)
CAS Number(s)
  • 55253-69-5
InChIKey QYFSHTYKVAOVJM-UWVGGRQHSA-N
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