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

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Properties Simple | Detailed

Formula C35H43N3O8
IUPAC Name (2r,3r,4r,5r)-2,5-dibenzyloxy-3,4-dihydroxy-n-[(1s,2r)-2-hydroxyindan-1-yl]-n'-[(1s)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide
Molecular Mass 633.731 g·mol−1
Heat of Formation -1291.6 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 761.4 Å 3
Surface Area 541.8 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2,5-bis(benzyloxy)-3,4-dihydroxy-n-[(1s,2r)-2-hydroxyindan-1-yl]-n'-[(1s)-2-methyl-1-(methylcarbamoyl)propyl]adipamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n-[(1s,2r)-2-hydroxy-1-indanyl]-n'-[(1s)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis(phenylmethoxy)hexanediamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-n'-[(2s)-3-methyl-1-methylamino-1-oxo-butan-2-yl]-2,5-bis(phenylmethoxy)hexanediamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-n'-[(2s)-3-methyl-1-methylamino-1-oxobutan-2-yl]-2,5-bis(phenylmethoxy)hexanediamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n-[(1s,2r)-2-hydroxyindan-1-yl]-n'-[(1s)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis(phenylmethoxy)hexanediamide
  • (2r,3r,4r,5r)-n-[(1s)-2-methyl-1-(n-methylcarbamoyl)propyl]-n'-((1s,2r)-2-hydroxyindanyl)-2,5-bis(phenylmethoxy)-3,4-dihydroxyhexane-1,6-diamide
  • [5-(2-hydroxy-indan-1-ylcarbamoyl)-3,4-dihydroxy-2,5-[dibenzyl-oxy]-pentanoyl]-valinyl-amido-methane
  • bec
  • inhibitor bea388
InChIKey VZNNJZGVQVNHCM-CDNLURBZSA-N
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