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

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Properties Simple | Detailed

Formula C35H46N4O6S
IUPAC Name (2s,4r)-n-tert-butyl-1-[(2r,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butyl]-4-(4-pyridylsulfonyl)piperidine-2-carboxamide
Molecular Mass 650.828 g·mol−1
Heat of Formation -870.0 ± 16.7 kJ·mol−1
Dipole Moment 7.89 ± 1.08 D
Volume 797.94 Å 3
Surface Area 594.96 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.20 ± 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-ylsulfonyl-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-pyridylsulfonyl)-2-piperidinecarboxamide
  • (2s,4r)-n-tert-butyl-1-[(2r,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butyl]-4-(4-pyridylsulfonyl)pipecolinamide
  • (2s,4r)-n-tert-butyl-1-[(2r,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butyl]-4-(4-pyridylsulfonyl)piperidine-2-carboxamide
  • (2s,4r)-n-tert-butyl-1-[(2r,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-pyridin-4-ylsulfonylpiperidine-2-carboxamide
InChIKey HJVDBHNPRUSMDC-QNRWOPMTSA-N
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