Cyclo(Tyr-Leu)
PubChem CID: 572422
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| Compound Synonyms | Cyclo(Tyr-Leu), 82863-65-8, 3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione, 3-((4-hydroxyphenyl)methyl)-6-(2-methylpropyl)piperazine-2,5-dione, SCHEMBL14952819, DTXSID301345945, AKOS040763470, DA-72474, MS-23930, HY-131115, CS-0128612, G14112 |
|---|---|
| Topological Polar Surface Area | 78.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 362.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C15H20N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GENSLUDVKWKQMX-UHFFFAOYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -2.649 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.652 |
| Compound Name | Cyclo(Tyr-Leu) |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 276.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.147 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 276.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2122832000000003 |
| Inchi | InChI=1S/C15H20N2O3/c1-9(2)7-12-14(19)17-13(15(20)16-12)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8H2,1-2H3,(H,16,20)(H,17,19) |
| Smiles | CC(C)CC1C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients