Ulimorelin

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Formula C30H39FN4O4
IUPAC Name (7r,10r,13s,16r)-13-cyclopropyl-7-[(4-fluorophenyl)methyl]-10,11,16-trimethyl-17-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(18),19,21-triene-6,9,12-trione
Molecular Mass 538.653 g·mol−1
Heat of Formation -743.7 ± 16.7 kJ·mol−1
Dipole Moment 7.76 ± 1.08 D
Volume 676.37 Å 3
Surface Area 472.38 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,6s,9r,12r)-6-cyclopropyl-12-(4-fluorobenzyl)-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
  • (3r,6s,9r,12r)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
InChIKey WGYPAJVJMXQXTR-ABNZCKJZSA-N
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