(2S,3S)-3-Amino-4-[(3S)-3-Fluoro-1-Pyrrolidinyl]-N,N-Dimethyl-4-Oxo-2-[4-([1,2,4]Triazolo[1,5-A]Pyridin-6-Yl)Phenyl]Butanamide

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Properties Simple | Detailed

Formula C22H26FN6O2+
IUPAC Name (2s,3s)-3-amino-4-[(3s)-3-fluoropyrrolidin-1-yl]-n,n-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[5,1-f]pyridin-6-yl)phenyl]butanamide
Molecular Mass 425.479 g·mol−1
Heat of Formation -154.1 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 496.37 Å 3
Surface Area 419.49 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-3-amino-4-[(3s)-3-fluoro-1-pyrrolidinyl]-n,n-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[5,1-f]pyridin-6-yl)phenyl]butanamide
  • (2s,3s)-3-amino-4-[(3s)-3-fluoropyrrolidin-1-yl]-4-keto-n,n-dimethyl-2-[4-([1,2,4]triazolo[5,1-f]pyridin-6-yl)phenyl]butyramide
  • 6-(4-{(1s,2s)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3s)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1h-[1,2,4]triazolo[1,5-a]pyridin-4-ium
InChIKey ZNHVIJAGMFQGMS-IHPCNDPISA-N
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