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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XAYAX | triazole | Mestranol |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00678 |
| Smiles | |
| Inchi Key | InChIKey=XGSPVQIYXWYZJP-XPULBOKHSA-N |
| Molecular weight | 772.452 |
| Molecular formula | C43H60N6O7 |
| Chemical name | Peptide information |
| Sequence (one letter) | XAYAX |
| Length | 5 |
| Peptide name | oligopeptide |
| External ID | |
|---|---|
| CAS number | 1412911-25-1 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Convenient method for decoration of biologically active molecules with peptide residues |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | triazole |
| Small molecule | Mestranol |
| Small molecule CAS | 72-33-3 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 5.81779 |
| Rotatable bonds | 14 |
| H bond donor | 3 |
| H bond acceptor | 8 |
| Polar surface area (PSA) | 157.14000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis of peptide conjugates of mestranol by a 1,3-dipolar cycloaddition click reaction | 2012 | Sokolova, N. V.; Nenajdenko, V. G. | Chemistry of Heterocyclic Compounds | ||
