(4R,5S,6S,7R)-1,3-Bis(3-Aminobenzyl)-4,7-Dibenzyl-1,3-Diazepane-2,5,6-Triol

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Properties Simple | Detailed

Formula C33H38N4O3
IUPAC Name (1s,3s,4r,5s,6s,7r)-1,3-bis[(3-aminophenyl)methyl]-4,7-dibenzyl-1,3-diazepane-2,5,6-triol
Molecular Mass 538.680 g·mol−1
Heat of Formation -209.9 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 655.97 Å 3
Surface Area 492.91 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 3.23 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s,6s,7r)-1,3-bis(3-aminobenzyl)-4,7-bis(benzyl)-1,3-diazepane-2,5,6-triol
  • (4r,5s,6s,7r)-1,3-bis[(3-aminophenyl)methyl]-4,7-bis(phenylmethyl)-1,3-diazepane-2,5,6-triol
  • [4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([(3-amino)phenyl]methyl)-4,7-bis(phenylmethyl)-2h-1,3-diazepinone
  • dmp450
  • dmp450(inhibitor of dupont merck)
  • dmq
  • {[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([3-amino)phenyl]methyl-4,7-bia(phenylmethyl)-2h-1,3-diazepinone
InChIKey XGWVVCFTECTRQS-ZRTHHSRSSA-N
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