(2S)-1-[(2S,4S,5S)-2-Hydroxy-4-{[(1S,2R)-2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl]Carbamoyl}-5-Phenylhexyl]-N-(2-Methyl-2-Propanyl)-4-(3-Pyridinylmethyl)-2-Piperazinecarboxamide

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Properties Simple | Detailed

Formula C37H49N5O4
IUPAC Name (1s,2s,4r)-n-tert-butyl-1-[(2s,4s,5s)-2-hydroxy-4-[[(1s,2r)-2-hydroxyindan-1-yl]carbamoyl]-5-phenyl-hexyl]-4-(3-pyridylmethyl)piperazine-2-carboxamide
Molecular Mass 627.816 g·mol−1
Heat of Formation -581.5 ± 16.7 kJ·mol−1
Dipole Moment 7.02 ± 1.08 D
Volume 804.95 Å 3
Surface Area 563.85 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-tert-butyl-1-[(2s,4s,5s)-2-hydroxy-4-[[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]carbamoyl]-5-phenyl-hexyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide
  • (2s)-n-tert-butyl-1-[(2s,4s,5s)-2-hydroxy-4-[[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]carbamoyl]-5-phenylhexyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide
  • (2s)-n-tert-butyl-1-[(2s,4s,5s)-2-hydroxy-4-[[(1s,2r)-2-hydroxyindan-1-yl]carbamoyl]-5-phenyl-hexyl]-4-(3-pyridylmethyl)piperazine-2-carboxamide
  • (2s)-n-tert-butyl-1-[(2s,4s,5s)-2-hydroxy-4-[[[(1s,2r)-2-hydroxy-1-indanyl]amino]-oxomethyl]-5-phenylhexyl]-4-(3-pyridylmethyl)-2-piperazinecarboxamide
  • n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4-hydroxy-2-(1-phenylethyl)-pentanamide
  • xn1
InChIKey AITMPVIQUIXEST-FGUNTGOFSA-N
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