Cyclo[D-α-Aspartyl-L-Prolyl-(2S)-2-(2-Thienyl)Glycyl-L-Leucyl-D-Tryptophyl]

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Formula C32H38N6O7S
IUPAC Name 2-[(3r,6r,9s,12s,15s)-6-(2h-indol-1-ium-2-ylium-3-ylmethyl)-9-isobutyl-2,5,8,11,14-pentaoxo-12-(2-thienyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular Mass 650.745 g·mol−1
Heat of Formation -1108.7 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 776.1 Å 3
Surface Area 554.37 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(3r,6r,9s,12s,15s)-6-(1h-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-thiophen-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]ethanoic acid
  • 2-[(3r,6r,9s,12s,15s)-6-(1h-indol-3-ylmethyl)-9-isobutyl-2,5,8,11,14-pentaketo-12-(2-thienyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
  • 2-[(3r,6r,9s,12s,15s)-6-(1h-indol-3-ylmethyl)-9-isobutyl-2,5,8,11,14-pentaoxo-12-(2-thienyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
  • bq 518
InChIKey KXUDUVUGZWJNHV-QEXRHJMMSA-N
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