(4R,5S,6S,7R)-1,3-Bis(3-Aminobenzyl)-4,7-Dibenzyl-5,6-Dihydroxy-1,3-Diazepan-2-One

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Properties Simple | Detailed

Formula C28H20N4O3
IUPAC Name 3-[[3-[2-(cyanomethyl)allyl]-4-(2-ethynyl-3-methylene-cyclopropen-1-yl)-7-hepta-1,3,5-triynyl-2,5,6-trioxo-1,3-diazepan-1-yl]methyl]but-3-enenitrile
Molecular Mass 460.483 g·mol−1
Heat of Formation -216.9 ± 16.7 kJ·mol−1
Dipole Moment 1.09 ± 1.08 D
Volume 650.29 Å 3
Surface Area 451.76 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 3.15 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s,6s,7r)-1,3-bis(3-aminobenzyl)-4,7-bis(benzyl)-5,6-dihydroxy-1,3-diazepan-2-one
  • (4r,5s,6s,7r)-1,3-bis[(3-aminophenyl)methyl]-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-diazepan-2-one
  • 177932-89-7 (bismethylsulfonate salt)
  • [4r-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-1,3- bis[(3-aminophenyl)methyl]-hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-2h-1,3-diazepin-2-one dimethanesulfonate
  • d05538
  • dmp 450
  • dmp-450
  • mozenavir (*bismesylate salt*)
  • xm 412
  • xm412
InChIKey KYRSNWPSSXSNEP-ZRTHHSRSSA-N
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