Odanacatib

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Properties Simple | Detailed

Formula C25H27F4N3O3S
IUPAC Name (2s)-n-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1s)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
Molecular Mass 525.559 g·mol−1
Heat of Formation -1058.4 ± 16.7 kJ·mol−1
Dipole Moment 9.04 ± 1.08 D
Volume 602.42 Å 3
Surface Area 492.35 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1s)-2,2,2-trifluoro-1-[4-(4-mesylphenyl)phenyl]ethyl]amino]valeramide
InChIKey FWIVDMJALNEADT-SFTDATJTSA-N
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