3-{[(4R,5S,6S,7R)-4,7-Dibenzyl-3-(Cyclopropylmethyl)-5,6-Dihydroxy-2-Oxo-1,3-Diazepan-1-Yl]Methyl}-N-(1,3-Thiazol-2-Yl)Benzamide

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Properties Simple | Detailed

Formula C34H36N4O4S
IUPAC Name 3-[[(4r,5s,6s,7r)-4,7-dibenzyl-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]-n-thiazol-2-yl-benzamide
Molecular Mass 596.739 g·mol−1
Heat of Formation -229.2 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 699.1 Å 3
Surface Area 530.65 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-diazepine deriv.
  • 3-[[(4r,5s,6s,7r)-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]methyl]-n-(1,3-thiazol-2-yl)benzamide
  • 3-[[(4r,5s,6s,7r)-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]methyl]-n-(2-thiazolyl)benzamide
  • 3-[[(4r,5s,6s,7r)-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]methyl]-n-thiazol-2-yl-benzamide
  • 3-[[(4r,5s,6s,7r)-4,7-bis(benzyl)-3-(cyclopropylmethyl)-5,6-dihydroxy-2-keto-1,3-diazepan-1-yl]methyl]-n-thiazol-2-yl-benzamide
  • [4r-(4.alpha.,5.alpha.,5.beta.,7.beta.)]-3-[[3-(cyclopropylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepin-1-yl]methyl]-n-2-thiazolylbenzamide
  • [4r--(1alpha,5alpha,7beta)]-3-[(cycloprophylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepin]methyl-2-thiazolylbenzamide
  • inhibitor q8467 of dupont merck
  • q8467
InChIKey HFLCERPZYCWLSZ-VKONIRKNSA-N
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