(2R)-N~4~-Hydroxy-2-Isobutyl-N~1~-[(10S)-9-Oxo-1,8-Diazatricyclo[10.6.1.0~13,18~]Nonadeca-12(19),13,15,17-Tetraen-10-Yl]Succinamide

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Properties Simple | Detailed

Formula C25H36N4O4
IUPAC Name (2r)-n 4 -hydroxy-2-isobutyl-n 1 -[(10s)-9-oxo-1,8-diazatricyclo[10.6.1.0 13,18 ]nonadeca-12(19),13,15,17-tetraen-10-yl]succinamide
Molecular Mass 456.578 g·mol−1
Heat of Formation -629.2 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 577.03 Å 3
Surface Area 449.53 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-n4-hydroxy-2-isobutyl-n1-((s)-9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13(18),14,16-tetraen-10-yl)-succinamide
  • n4-hydroxy-2-isobutyl-n1-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)-succinamide
  • rrs
InChIKey GCBPAPVOMPJQHK-NQIIRXRSSA-N
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