(2R,3R,4R,5R)-2,5-Bis(Benzyloxy)-3,4-Dihydroxy-N,N'-Bis{(2S)-3-Methyl-1-Oxo-1-[(2-Pyridinylmethyl)Amino]-2-Butanyl}Hexanediamide

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Properties Simple | Detailed

Formula C42H52N6O8
IUPAC Name (2r,3r,4r,5r)-2,5-dibenzyloxy-3,4-dihydroxy-n,n'-bis[(1s)-2-methyl-1-(2-pyridylmethylcarbamoyl)propyl]hexanediamide
Molecular Mass 768.898 g·mol−1
Heat of Formation -1211.3 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 945.72 Å 3
Surface Area 680.52 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C2
Synonyms
  • (2r,3r,4r,5r)-2,5-bis(benzyloxy)-3,4-dihydroxy-n,n'-bis[(1s)-2-methyl-1-(2-pyridylmethylcarbamoyl)propyl]adipamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s)-2-methyl-1-(2-pyridylmethylcarbamoyl)propyl]-2,5-bis(phenylmethoxy)hexanediamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s)-2-methyl-1-[oxo-(2-pyridylmethylamino)methyl]propyl]-2,5-bis(phenylmethoxy)hexanediamide
  • (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(2s)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]-2,5-bis(phenylmethoxy)hexanediamide
  • 2,5-bis-benzyloxy-3,4-dihydroxy-hexanedioic acid, bis-({2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-propyl}-amide)
  • inhibitor msa367
  • ms3
  • n,n-[2,5-o-dibenzyl-glucaryl]-di-[valinyl-aminomethanyl-pyridine]
InChIKey SVFLQOLSPWURCD-CXPJILFNSA-N
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