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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| XIYAX | alpha-trifluoromethyl-alpha-hydroxy acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00683 |
| Smiles | |
| Inchi Key | InChIKey=PDHHDVRHVLOYPB-IGIDWNQJSA-N |
| Molecular weight | 790.388 |
| Molecular formula | C39H53F3N6O8 |
| Chemical name | Peptide information |
| Sequence (one letter) | XIYAX |
| Length | 5 |
| Peptide name | oligopeptide |
| External ID | |
|---|---|
| CAS number | 1360464-79-4 |
| 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 | 5.68854 |
| Rotatable bonds | 21 |
| H bond donor | 3 |
| H bond acceptor | 8 |
| Polar surface area (PSA) | 174.21000 |
| 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 | ||
