Trapoxin A

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Properties Simple | Detailed

Formula C34H42N4O6
IUPAC Name (3s,6s,9s,12r)-3,6-dibenzyl-9-[6-[(2s)-oxiran-2-yl]-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
Molecular Mass 602.720 g·mol−1
Heat of Formation -799.9 ± 16.7 kJ·mol−1
Dipole Moment 12.34 ± 1.08 D
Volume 747.81 Å 3
Surface Area 559.27 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s,9s,12r)-3,6-bis(benzyl)-9-[6-keto-6-[(2s)-oxiran-2-yl]hexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-diquinone
  • (3s,6s,9s,12r)-9-[6-[(2s)-2-oxiranyl]-6-oxohexyl]-3,6-bis(phenylmethyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
  • (3s,6s,9s,12r)-9-[6-[(2s)-oxiran-2-yl]-6-oxo-hexyl]-3,6-bis(phenylmethyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
  • (3s,6s,9s,12r)-9-[6-[(2s)-oxiran-2-yl]-6-oxohexyl]-3,6-bis(phenylmethyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
  • cyclo((s)-gamma-oxo-l-alpha-aminooxiraneoctanoyl-l-phenylalanyl-l-phenylalanyl-d-2-piperidinecarbonyl)
  • cyclo((s)-phenylalanyl-(s)-phenylalanyl-(r)-pipecolinyl-(2s,9s)-2-amino-8-oxo-9,10-epoxydecanoyl)
  • trapoxin
CAS Number(s)
  • 133155-89-2
InChIKey GXVXXETYXSPSOA-UFEOFEBPSA-N
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