(2R,3R,4R,5R)-3,4-Dihydroxy-N,N'-Bis[(2S)-3-Methyl-1-(Methylamino)-1-Oxo-2-Butanyl]-2,5-Bis{[4-(3-Pyridinyl)Benzyl]Oxy}Hexanediamide

Molecule SVG Image

Properties Simple | Detailed

Formula C42H52N6O8
IUPAC Name (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[[4-(3-pyridyl)phenyl]methoxy]hexanediamide
Molecular Mass 768.898 g·mol−1
Heat of Formation -1190.0 ± 16.7 kJ·mol−1
Dipole Moment 6.73 ± 1.08 D
Volume 944.12 Å 3
Surface Area 731.12 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[[4-(3-pyridyl)benzyl]oxy]adipamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[[4-(3-pyridyl)phenyl]methoxy]hexanediamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(2s)-3-methyl-1-methylamino-1-oxo-butan-2-yl]-2,5-bis[(4-pyridin-3-ylphenyl)methoxy]hexanediamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(2s)-3-methyl-1-methylamino-1-oxobutan-2-yl]-2,5-bis[(4-pyridin-3-ylphenyl)methoxy]hexanediamide
  • bej
  • c2-symmetric inhibitor 9
  • inhibitor bea428
  • n,n-[2,5-o-[di-4-pyridin-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane]
  • n1,n6-bis[(1s)-2-methyl-1-(methylcarbamoyl)propyl]-(2r,3r,4r,5r)-2,5-bis[4-(3-pyridyl)benzyloxy]-3,4-dihydroxyhexanediamide
InChIKey FOBRXMROTNVGST-CXPJILFNSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N