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

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Properties Simple | Detailed

Formula C17H21N3O2
IUPAC Name (3s,6s)-3-(2h-indol-1-ium-2-ylium-3-ylmethyl)-6-isobutyl-piperazine-2,5-dione
Molecular Mass 299.368 g·mol−1
Heat of Formation -267.2 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 371.49 Å 3
Surface Area 312.38 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s)-3-(1h-indol-3-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
  • (3s,6s)-3-(1h-indol-3-ylmethyl)-6-isobutyl-piperazine-2,5-dione
  • (3s,6s)-3-(1h-indol-3-ylmethyl)-6-isobutyl-piperazine-2,5-quinone
  • (3s,6s)-3-(1h-indol-3-ylmethyl)-6-isobutylpiperazine-2,5-dione
  • 2,5-piperazinedione, 3-(1h-indol-3-ylmethyl)-6-(2-methylpropyl)-, (3s-cis)-
  • 2,5-piperazinedione, 3-(indol-3-ylmethyl)-6-isobutyl-
  • cyclo(leu-trp)
CAS Number(s)
  • 15136-34-2
InChIKey BZUNCDPEEKFTCX-GJZGRUSLSA-N
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