(2S)-1-[(2S,4R)-4-Benzyl-2-Hydroxy-5-{[(1S,2R,5S)-2-Hydroxy-5-Methylcyclopentyl]Amino}-5-Oxopentyl]-N-(2-Methyl-2-Propanyl)-4-[3-(3-Pyridinyl)Propanoyl]-2-Piperazinecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C35H51N5O5
IUPAC Name (1s,2s)-1-[(2s,4r)-4-benzyl-2-hydroxy-5-[[(1s,2r,5s)-2-hydroxy-5-methyl-cyclopentyl]amino]-5-oxo-pentyl]-n-tert-butyl-4-[3-(3-pyridyl)propanoyl]piperazine-2-carboxamide
Molecular Mass 621.810 g·mol−1
Heat of Formation -942.8 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 800.41 Å 3
Surface Area 603.92 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s,4r)-4-(benzyl)-2-hydroxy-5-[[(1s,2r,5s)-2-hydroxy-5-methyl-cyclopentyl]amino]-5-keto-pentyl]-n-tert-butyl-4-[3-(3-pyridyl)propanoyl]piperazine-2-carboxamide
  • (2s)-n-tert-butyl-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r,5s)-2-hydroxy-5-methyl-cyclopentyl]amino]-5-oxo-4-(phenylmethyl)pentyl]-4-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide
  • (2s)-n-tert-butyl-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r,5s)-2-hydroxy-5-methyl-cyclopentyl]amino]-5-oxo-4-(phenylmethyl)pentyl]-4-[3-(3-pyridyl)propanoyl]piperazine-2-carboxamide
  • (2s)-n-tert-butyl-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r,5s)-2-hydroxy-5-methylcyclopentyl]amino]-5-oxo-4-(phenylmethyl)pentyl]-4-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide
  • (2s)-n-tert-butyl-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r,5s)-2-hydroxy-5-methylcyclopentyl]amino]-5-oxo-4-(phenylmethyl)pentyl]-4-[1-oxo-3-(3-pyridyl)propyl]-2-piperazinecarboxamide
  • 1-[2-hydroxy-4-(2-hydroxy-5-methyl-cyclopentylcarbamoyl)5-phenyl-pentyl]-4-(3-pyridin-3-yl-propionyl)-piperazine-2-carboxylic acid tert-butylamide
  • 1in
  • l-738,317
InChIKey ITUWYDLENJLLBB-FJPQDTJVSA-N
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