Cyclo(L-Phe-L-Pro)
PubChem CID: 443440
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| Compound Synonyms | Cyclo(-Phe-Pro), 3705-26-8, Cyclo(L-Phe-L-Pro), Cyclo-L-phenylalanyl-L-proline, (3S,8aS)-3-Benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CHEBI:69440, (3S,8aS)-3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cyclo(L-prolyl-L-phenylalanyl), MFCD00038604, Cyclo(phenylalanylprolyl), KUC100417N, (3S-trans)-3-Benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione, QZBUWPVZSXDWSB-RYUDHWBXSA-N, Cyclo(Pro-Phe), MLS001208545, CHEMBL512845, cyclo(L-phenylalanyl-L-prolyl), SCHEMBL2019443, HY-P1934A, BDBM163710, DTXSID101316106, HMS2843P17, (3S,8aS)-3-Benzyl-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione, EX-A3331, Cyclo L-Pro-L-Phe (Fr. 2-2), AC6021, Diketopiperazine cyclo(D-Pro-D-Phe), AKOS000739487, FC49481, AS-56632, SMR000504521, NS00047284, 3-Benzyl-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione, Q27104973, rel-(3R,8aR)-3-benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione, (3S,8Ar)-3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-, (3S,8aS)-, InChI=1/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)/t11-,12-/m0/s |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P00811, n.a., Q9UNA4, P13500 |
| Iupac Name | (3S,8aS)-3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C14H16N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QZBUWPVZSXDWSB-RYUDHWBXSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -1.831 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.316 |
| Compound Name | Cyclo(L-Phe-L-Pro) |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 244.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.121 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 244.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.546589466666666 |
| Inchi | InChI=1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)/t11-,12-/m0/s1 |
| Smiles | C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cordyceps Sinensis (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hypericum Scabrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all