N-[(2S)-1-{[(2S,3R)-3-Hydroxy-4-{(2S,4R)-2-[(2-Methyl-2-Propanyl)Carbamoyl]-4-[(3-Pyridinylmethyl)Sulfanyl]-1-Piperidinyl}-1-Phenyl-2-Butanyl]Amino}-3-Methyl-1-Oxo-2-Butanyl]-2-Quinolinecarboxamide

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Properties Simple | Detailed

Formula C41H52N6O4S
IUPAC Name n-[(1s)-1-[[(1s,2r)-1-benzyl-3-[(2s,4r)-2-(1,1-dimethylethylcarbamoyl)-4-(3-pyridylmethylsulfanyl)-1-piperidyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]quinoline-2-carboxamide
Molecular Mass 724.954 g·mol−1
Heat of Formation -507.3 ± 16.7 kJ·mol−1
Dipole Moment 10.11 ± 1.08 D
Volume 907.53 Å 3
Surface Area 665.71 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2-quinolinecarboxamide, n-((1s)-1-((((1s,2r)-3-((2s,4r)-2-(((1,1-dimethylethyl)amino)carbonyl)-4-((3-pyridinylmethyl)thio)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)carbonyl)-2-methylpropyl)-
  • 2-quinolinecarboxamide, n-[(1s)-1-[[[(1s,2r)-3-[(2s,4r)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-[(3-pyridinylmethyl)thio]-1-piperidinyl]-2-hydroxy-1-(phenylmethyl)propyl]amino]carbonyl]-2-methylpropy
  • 2-quinolinecarboxamide, n-[(1s)-1-[[[(1s,2r)-3-[(2s,4r)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-[(3-pyridinylmethyl)thio]-1-piperidinyl]-2-hydroxy-1-(phenylmethyl)propyl]amino]carbonyl]-2-methylpropyl]-
  • bila 1906 bs
  • n-[(1s)-1-[[(1s,2r)-1-(benzyl)-3-[(2s,4r)-2-(tert-butylcarbamoyl)-4-(3-pyridylmethylthio)-1-piperidyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]quinaldamide
  • n-[(1s)-1-[[(1s,2r)-3-[(2s,4r)-2-(tert-butylcarbamoyl)-4-(3-pyridylmethylsulfanyl)-1-piperidyl]-2-hydroxy-1-(phenylmethyl)propyl]carbamoyl]-2-methyl-propyl]quinoline-2-carboxamide
  • n-[(1s)-1-[[[(1s,2r)-3-[(2s,4r)-2-[(tert-butylamino)-oxomethyl]-4-(3-pyridylmethylthio)-1-piperidinyl]-2-hydroxy-1-(phenylmethyl)propyl]amino]-oxomethyl]-2-methylpropyl]-2-quinolinecarboxamide
  • n-[(2s)-1-[[(2s,3r)-4-[(2s,4r)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethylsulfanyl)piperidin-1-yl]-3-hydroxy-1-phenyl-butan-2-yl]amino]-3-methyl-1-oxo-butan-2-yl]quinoline-2-carboxamide
  • n-[(2s)-1-[[(2s,3r)-4-[(2s,4r)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethylsulfanyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
  • qnd-val-hpb-ppl-py2
CAS Number(s)
  • 154612-31-4
InChIKey IMPWGYVYFQPDFN-SZNOJMITSA-N
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