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

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Properties Simple | Detailed

Formula C40H50N4O8S2
IUPAC Name (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[[4-(3-thienyl)phenyl]methoxy]hexanediamide
Molecular Mass 778.977 g·mol−1
Heat of Formation -1179.5 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 966.75 Å 3
Surface Area 739.07 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.49 ± 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-thienyl)benzyl]oxy]adipamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[[4-(3-thienyl)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-thiophen-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-thiophen-3-ylphenyl)methoxy]hexanediamide
  • bee
  • inhibitor bea409
  • n1,n6-bis[(1s)-2-methyl-1-(methylcarbamoyl)propyl]-(2r,3r,4r,5r)-2,5-bis[4-(3-thienyl)benzyloxy]-3,4-dihydroxyhexanediamide
InChIKey AJZAPEZJWWQJHC-UWNKZCSISA-N
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