2-{3-[(3S,8As)-1,4-Dioxooctahydropyrrolo[1,2-A]Pyrazin-3-Yl]Propyl}Guanidine

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Formula C11H19N5O2
IUPAC Name 2-[3-[(3s,8as)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]propyl]guanidine
Molecular Mass 253.301 g·mol−1
Heat of Formation -328.0 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 306.16 Å 3
Surface Area 284.57 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[(3s,8as)-1,4-diketo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-d]pyrazin-3-yl]propyl]guanidine
  • 2-[3-[(3s,8as)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-d]pyrazin-3-yl]propyl]guanidine
  • alj
  • cyclo-(l-arginine-l-proline) inhibitor
  • n''-{3-[(3s,8ar)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}guanidine
InChIKey ZRJHYOXNWCMGMW-YUMQZZPRSA-N
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