(3R)-5-Methyl-3-{[(10S)-9-Oxo-1,8-Diazatricyclo[10.6.1.0~13,18~]Nonadeca-12(19),13,15,17-Tetraen-10-Yl]Carbamoyl}Hexanoic Acid

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Properties Simple | Detailed

Formula C25H35N3O4
IUPAC Name (3r)-5-methyl-3-{[(10s)-9-oxo-1,8-diazatricyclo[10.6.1.0 13,18 ]nonadeca-12(19),13,15,17-tetraen-10-yl]carbamoyl}hexanoic acid
Molecular Mass 441.563 g·mol−1
Heat of Formation -795.5 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 564.42 Å 3
Surface Area 417.49 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 5-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-ylcarbamoyl)-hexanoic acid
InChIKey AKWKBACKRMYPRV-NQIIRXRSSA-N
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