(2R,3R,4R,5R)-2,5-Bis(Benzyloxy)-3,4-Dihydroxy-N,N'-Bis[(2S,3S)-3-Methyl-1-(Methylamino)-1-Oxo-2-Pentanyl]Hexanediamide

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Properties Simple | Detailed

Formula C34H50N4O8
IUPAC Name (2r,3r,4r,5r)-2,5-dibenzyloxy-3,4-dihydroxy-n,n'-bis[(1s,2s)-2-methyl-1-(methylcarbamoyl)butyl]hexanediamide
Molecular Mass 642.783 g·mol−1
Heat of Formation -1492.9 ± 16.7 kJ·mol−1
Dipole Moment 0.34 ± 1.08 D
Volume 811.97 Å 3
Surface Area 559.56 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2,5-bis(benzyloxy)-3,4-dihydroxy-n,n'-bis[(1s,2s)-2-methyl-1-(methylcarbamoyl)butyl]adipamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s,2s)-2-methyl-1-(methylcarbamoyl)butyl]-2,5-bis(phenylmethoxy)hexanediamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(2s,3s)-3-methyl-1-methylamino-1-oxo-pentan-2-yl]-2,5-bis(phenylmethoxy)hexanediamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(2s,3s)-3-methyl-1-methylamino-1-oxopentan-2-yl]-2,5-bis(phenylmethoxy)hexanediamide
  • bei
  • inhibitor bea322
  • n,n-[2,5-o-[dibenzyl]-glucaryl]-di-[isoleucyl-amido-methane]
  • n1,n6-di[(1s,2s)-2-methyl-1-(methylcarbamoyl)butyl]-(2r,3r,4r,5r)-2,5-di(benzyloxy)-3,4-dihydroxyhexanediamide
InChIKey GLKONBHDVMFJNJ-XAOMMOPXSA-N
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