Bq123

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Properties Simple | Detailed

Formula C31H42N6O7
IUPAC Name 2-[(3r,6r,9s,12r,15s)-6-(2h-indol-1-ium-2-ylium-3-ylmethyl)-9-isobutyl-12-isopropyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular Mass 610.701 g·mol−1
Heat of Formation -1317.5 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 751.6 Å 3
Surface Area 540.92 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(3r,6r,9s,12r,15s)-6-(1h-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
  • 2-[(3r,6r,9s,12r,15s)-6-(1h-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]ethanoic acid
  • 2-[(3r,6r,9s,12r,15s)-6-(1h-indol-3-ylmethyl)-9-isobutyl-12-isopropyl-2,5,8,11,14-pentaketo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
  • 2-[(3r,6r,9s,12r,15s)-6-(1h-indol-3-ylmethyl)-9-isobutyl-12-isopropyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
  • bq 123
  • cyclo[d-trp-d-asp-l-pro-d-val-l-leu]
CAS Number(s)
  • 136553-81-6
InChIKey VYCMAAOURFJIHD-PJNXIOHISA-N
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