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

Molecule SVG Image

Properties Simple | Detailed

Formula C33H40N4O6
IUPAC Name (3s,6s,9s,12r)-3,6-dibenzyl-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 588.694 g·mol−1
Heat of Formation -806.6 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 733.42 Å 3
Surface Area 548.82 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.04 ± 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[10.3.0]pentadecane-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[10.3.0]pentadecane-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[10.3.0]pentadecane-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[10.3.0]pentadecane-2,5,8,11-tetrone
  • cyclo(.alpha.s,2s)-.alpha.-amino-.eta.-oxooxiraneoctanoyl- l-phenylalanyl-l-phenylalanyl-d-prolyl]
  • rf-1023-b
  • trapoxin b
InChIKey LLOKIGWPNVSDGJ-AFBVCZJXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N