(2S,5S,8S,10Ar)-2,5-Dibenzyl-8-{2-[(2S)-2-Oxiranyl]-2-Oxoethyl}Decahydropyrrolo[1,2-G][1,4,7]Triazacyclododecine-1,4,7,10-Tetrone

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Properties Simple | Detailed

Formula C30H33N3O6
IUPAC Name (3s,6s,9s,12r)-3,6-dibenzyl-9-[2-[(2s)-oxiran-2-yl]-2-oxo-ethyl]-1,4,7-triazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Molecular Mass 531.600 g·mol−1
Heat of Formation -715.9 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 640.35 Å 3
Surface Area 480.93 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s,9s,12r)-3,6-bis(benzyl)-9-[2-keto-2-[(2s)-oxiran-2-yl]ethyl]-1,4,7-triazabicyclo[10.3.0]pentadecane-2,5,8,11-diquinone
  • (3s,6s,9s,12r)-9-[2-[(2s)-2-oxiranyl]-2-oxoethyl]-3,6-bis(phenylmethyl)-1,4,7-triazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
  • (3s,6s,9s,12r)-9-[2-[(2s)-oxiran-2-yl]-2-oxo-ethyl]-3,6-bis(phenylmethyl)-1,4,7-triazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
  • (3s,6s,9s,12r)-9-[2-[(2s)-oxiran-2-yl]-2-oxoethyl]-3,6-bis(phenylmethyl)-1,4,7-triazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
  • cyclo((alphas,2s)-alpha-amino-eta-oxooxiraneoctanoyl-l-phenylalanyl-l-phenylalanyl-d-prolyl) 4
  • cyclo((s)-eta-oxo-l-alpha-aminooxiraneoctanoyl-l-phenylalanyl-l-phenylalanyl-d-2-piperidinecarbonyl)
  • cyclo((s)-phenylalanyl-phenylalanyl-(r)-prolyl-2-amino-8-oxo-9,10-epoxydecanoyl)
CAS Number(s)
  • 133155-90-5
InChIKey HRLNGCKZKAHAOH-CPASSRBFSA-N
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