(2R,3R,4R,5R)-N-Benzyl-2,5-Bis(Benzyloxy)-3,4-Dihydroxy-N'-[(1S,2R)-2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl]Hexanediamide

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Properties Simple | Detailed

Formula C36H38N2O7
IUPAC Name (2r,3r,4r,5r)-n-benzyl-2,5-dibenzyloxy-3,4-dihydroxy-n'-[(1s,2r)-2-hydroxyindan-1-yl]hexanediamide
Molecular Mass 610.696 g·mol−1
Heat of Formation -902.2 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 745.57 Å 3
Surface Area 581.41 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-3,4-dihydroxy-n-[(1s,2r)-2-hydroxy-1-indanyl]-2,5-bis(phenylmethoxy)-n'-(phenylmethyl)hexanediamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2,5-bis(phenylmethoxy)-n'-(phenylmethyl)hexanediamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n-[(1s,2r)-2-hydroxyindan-1-yl]-2,5-bis(phenylmethoxy)-n'-(phenylmethyl)hexanediamide
  • (2r,3r,4r,5r)-n'-((1s,2r)-2-hydroxyindanyl)-2,5-bis(phenylmethoxy)-3,4-dihydroxy-n-benzylhexane-1,6-diamide
  • (2r,3r,4r,5r)-n-(benzyl)-2,5-bis(benzyloxy)-3,4-dihydroxy-n'-[(1s,2r)-2-hydroxyindan-1-yl]adipamide
  • 2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid benzylamide (2-hydroxy-indan-1-yl)-amide
  • beh
  • inhibitor bea435
InChIKey KMCYORONTQQGJB-VQEIZDKSSA-N
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