(2S,4R)-1-[(2R,3S)-3-{[(2,6-Dimethylphenoxy)Acetyl]Amino}-2-Hydroxy-4-Phenylbutyl]-N-(2-Methyl-2-Propanyl)-4-(4-Pyridinylsulfanyl)-2-Piperidinecarboxamide

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Properties Simple | Detailed

Formula C35H46N4O4S
IUPAC Name (1s,2s,4r)-n-tert-butyl-1-[(2r,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butyl]-4-(4-pyridylsulfanyl)piperidine-2-carboxamide
Molecular Mass 618.829 g·mol−1
Heat of Formation -534.4 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 784.75 Å 3
Surface Area 613.33 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r)-n-tert-butyl-1-[(2r,3s)-3-[2-(2,6-dimethylphenoxy)ethanoylamino]-2-hydroxy-4-phenyl-butyl]-4-pyridin-4-ylsulfanyl-piperidine-2-carboxamide
  • (2s,4r)-n-tert-butyl-1-[(2r,3s)-3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridylthio)-2-piperidinecarboxamide
  • (2s,4r)-n-tert-butyl-1-[(2r,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butyl]-4-(4-pyridylsulfanyl)piperidine-2-carboxamide
  • (2s,4r)-n-tert-butyl-1-[(2r,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butyl]-4-(4-pyridylthio)pipecolinamide
  • 2-piperidinecarboxamide, n-(1,1-dimethylethyl)-1-((2r,3s)-3-(((2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-4-phenylbutyl)-4-(4-pyridinylthio)-, (2s,4r)-
  • 2-piperidinecarboxamide, n-(1,1-dimethylethyl)-1-[(2r,3s)-3-[[(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-, (2s,4r)-
  • bila 2185 bs
  • bila 2185bs
  • palinavir deriv. 19
CAS Number(s)
  • 154612-58-5
InChIKey WVPSCZBMYQIZMS-QNRWOPMTSA-N
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