cyclo(L-tyrosyl-L-phenylalanyl)
PubChem CID: 11438306
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| Compound Synonyms | cyclo(L-Tyr-L-Phe), cyclo(L-tyrosyl-L-phenylalanyl), CHEBI:71611, CHEMBL191426, (3S,6S)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione, cyclo(L-phenylalanyl-L-tyrosyl), cyclo(Phe-Tyr), cyclo(TyrPhe), cyclo(L-Phe-L-Tyr), SCHEMBL25309402, (3S,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, BDBM50505740, AKOS040763644, Q27139754, 1ED, cYF |
|---|---|
| Topological Polar Surface Area | 78.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 426.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P07384, A0A0T9WNE5 |
| Iupac Name | (3S,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C18H18N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GRWVBLRIPRGGPD-HOTGVXAUSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.893 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.527 |
| Compound Name | cyclo(L-tyrosyl-L-phenylalanyl) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.132 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.757375556521739 |
| Inchi | InChI=1S/C18H18N2O3/c21-14-8-6-13(7-9-14)11-16-18(23)19-15(17(22)20-16)10-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11H2,(H,19,23)(H,20,22)/t15-,16-/m0/s1 |
| Smiles | C1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dioscorea Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dioscorea Polystachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all