(3S,8As)-3-(4-Hydroxybenzyl)Hexahydropyrrolo[1,2-A]Pyrazine-1,4-Dione

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Formula C14H16N2O3
IUPAC Name (3s,8as)-3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Mass 260.288 g·mol−1
Heat of Formation -445.6 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 303.3 Å 3
Surface Area 276.37 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8ar)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
  • (3s,8as)-3-(4-hydroxybenzyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-quinone
  • (3s,8as)-3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione
  • cyclo(l-pro-l-tyr)
  • cyclo-(l-tyrosine-l-proline) inhibitor
  • cyclo-(pro-tyr)
  • maculosin
  • pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-((4-hydroxyphenyl)methyl)-, (3s,8as)-
  • pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-((4-hydroxyphenyl)methyl)-, (3s-trans)-
  • typ
CAS Number(s)
  • 4549-02-4
InChIKey LSGOTAXPWMCUCK-RYUDHWBXSA-N
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