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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| XAYX | alpha-trifluoromethyl-alpha-hydroxy acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00688 |
| Smiles | |
| Inchi Key | InChIKey=VYJBRSQYMMMVNC-WLKGAWMKSA-N |
| Molecular weight | 688.304 |
| Molecular formula | C30H43F3N6O9 |
| Chemical name | Peptide information |
| Sequence (one letter) | XAYX |
| Length | 4 |
| Peptide name | oligopeptide |
| External ID | |
|---|---|
| CAS number | 1360464-74-9 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Potential applications in biochemistry and medicinal chemistry |
| Conjugate type | amide |
| Linker | no |
| Small molecule | alpha-trifluoromethyl-alpha-hydroxy acid |
| Small molecule CAS | 537034-30-3 |
| Small molecule structure | |
| Structure method | 1H-, 13C- and 19F-NMR |
| NMR solvent | DMSO-d6 or CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 2.49581 |
| Rotatable bonds | 18 |
| H bond donor | 3 |
| H bond acceptor | 9 |
| Polar surface area (PSA) | 183.44000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis of α-Trifluoromethyl-α-hydroxy Acid-Peptide Conjugates via Click Chemistry | 2012 | Sokolova, Nadezhda V.; Vorobyeva, Daria V.; Osipov, Sergey N.; Vasilyeva, Tamara P.; Nenajdenko, Valentine G. | Synthesis | ||
