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Cyclo(L-Ala-L-Pro)

PubChem CID: 13879951

Connections displayed (default: 10).
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Compound Synonyms Cyclo(L-Ala-L-Pro), 36357-32-1, Cyclo(Ala-?Pro), (3S,8aS)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, cyclo(prolylalanyl), Cyclo(L-la--ro), cis-Cyclo[L-Ala-L-Pro], CHEMBL2023636, SCHEMBL18196054, CHEBI:178074, HY-P1935, AKOS015899348, Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-methyl-, (3S,8aS)- (9CI), FS-8687, CS-0024006, (3S,8AS)-3-METHYL-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE
Topological Polar Surface Area 49.4
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 12.0
Isotope Atom Count 0.0
Molecular Complexity 239.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (3S,8aS)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Prediction Hob 1.0
Xlogp -0.2
Molecular Formula C8H12N2O2
Prediction Swissadme 0.0
Inchi Key WSLYCILIEOFQPK-WDSKDSINSA-N
Fcsp3 0.75
Logs -0.767
Rotatable Bond Count 0.0
Logd -0.703
Compound Name Cyclo(L-Ala-L-Pro)
Prediction Hob Swissadme 0.0
Exact Mass 168.09
Formal Charge 0.0
Monoisotopic Mass 168.09
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 168.19
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -0.9584151999999999
Inchi InChI=1S/C8H12N2O2/c1-5-8(12)10-4-2-3-6(10)7(11)9-5/h5-6H,2-4H2,1H3,(H,9,11)/t5-,6-/m0/s1
Smiles C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Eurycoma Sp (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Sp (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Panax Innovans (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Panax Japonicus (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Panax Papyrifer (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Panax Pseudo (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Panax Pseudoginseng (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Panax Quinquefolius (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Panax Schinseng (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Panax Sikkimensis (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Panax Spinosus (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Panax Stipuleanatus (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Pinellia Pedatisecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Pinellia Ternata (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Psammosilene Tunicoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Pterocaulon Sp (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Rheum Sp (Plant) Rel Props:Reference:
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