(3S,9S,14Ar)-9-Benzyl-6,6-Dimethyl-3-{6-[(2S)-2-Oxiranyl]-6-Oxohexyl}Decahydropyrrolo[1,2-A][1,4,7,10]Tetraazacyclododecine-1,4,7,10-Tetrone

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Properties Simple | Detailed

Formula C28H38N4O6
IUPAC Name (3s,9s,12r)-3-benzyl-6,6-dimethyl-9-[6-[(2s)-oxiran-2-yl]-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Molecular Mass 526.625 g·mol−1
Heat of Formation -962.2 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 648.89 Å 3
Surface Area 515.7 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,9s,12r)-3-(benzyl)-9-[6-keto-6-[(2s)-oxiran-2-yl]hexyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-diquinone
  • (3s,9s,12r)-6,6-dimethyl-9-[6-[(2s)-2-oxiranyl]-6-oxohexyl]-3-(phenylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
  • (3s,9s,12r)-6,6-dimethyl-9-[6-[(2s)-oxiran-2-yl]-6-oxo-hexyl]-3-(phenylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
  • (3s,9s,12r)-6,6-dimethyl-9-[6-[(2s)-oxiran-2-yl]-6-oxohexyl]-3-(phenylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
  • chlamydocin
  • cyclic(2-methylalanyl-l-phenylalanyl-d-propyl-l-alpha-amino-eta-oxooxiraneoctanoyl)
  • hdinhib_000038
CAS Number(s)
  • 53342-16-8
InChIKey SGYJGGKDGBXCNY-QXUYBEEESA-N
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