Cyclo(L-leucyl-L-phenylalanyl)
PubChem CID: 7076347
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7280-77-5, CYCLO(-LEU-PHE), cyclo(L-Phe-L-Leu), Cyclo(L-leucyl-L-phenylalanyl), Cyclo(Leu-Phe), Cyclo(-L-Leu-L-Phe), Cyclo(leucyl-phenylalanyl), cyclo(L-Leu-L-Phe), cyclo(L-phenylalanyl-L-leucyl), L-Phenylalanyl-L-leucine diketopiperazine, (3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione, (3S,6S)-3-benzyl-6-isobutylpiperazine-2,5-dione, CHEBI:71608, 2,5-Piperazinedione, 3-(2-methylpropyl)-6-(phenylmethyl)-, (3S,6S)-, (3S,6S)-3-(2-Methylpropyl)-6-(phenylmethyl)-2,5-piperazinedione, MFCD00672388, cyclo(-leu-phe), AldrichCPR, CHEMBL189999, SCHEMBL2864427, 2,5-Piperazinedione, 3-benzyl-6-isobutyl-, (3S,6S)-, Cyclo-(l-leucyl-l-phenylalanyl), DTXSID20993602, HY-P4617, 2,5-Piperazinedione, 3-(2-methylpropyl)-6-(phenylmethyl)-, (3S-cis)-, AKOS027250806, FC49434, AS-87876, DB-230139, 3-Benzyl-6-isobutyl-2,5-piperazinedione #, CS-0655411, C20519, Q27139751, 3-Benzyl-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol, cFL |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P07384, n.a. |
| Iupac Name | (3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H20N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QPDMOMIYLJMOQJ-STQMWFEESA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -3.132 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.268 |
| Compound Name | Cyclo(L-leucyl-L-phenylalanyl) |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 260.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.152 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 260.329 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3452736105263154 |
| Inchi | InChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1 |
| Smiles | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all