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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| [WXTFPF] | Methyl acrylate |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00078 |
| Smiles | |
| Inchi Key | InChIKey=GUDJFZOIQJVXNX-UYKGIBSOSA-N |
| Molecular weight | 877.437 |
| Molecular formula | C48H59N7O9 |
| Chemical name | Peptide information |
| Sequence (one letter) | [WXTFPF] |
| Length | 8 |
| Peptide name | hexapeptide, cyclic |
| External ID | |
|---|---|
| CAS number | 2230864-85-2 |
| Other information | |
|---|---|
| Application | Synthesis, tryptophan chemoselective beta?position conjugation |
| Additional function | Possible appications as protein labeling and various bioconjugations |
| Pharmacological class | other |
| Conjugate type | C-C |
| Linker | no |
| Small molecule | Methyl acrylate |
| Small molecule CAS | 96-33-3 |
| Small molecule structure | |
| Structure method | NMR |
| Calculated properties | |
|---|---|
| LogP | 2.98238 |
| Rotatable bonds | 14 |
| H bond donor | 7 |
| H bond acceptor | 8 |
| Polar surface area (PSA) | 228.13000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Chemoselective Peptide Modification via Photocatalytic Tryptophan β-Position Conjugation | 2018 | Yu, Younong; Zhang, Li-Kang; Buevich, Alexei V.; Li, Guoqing; Tang, Haiqun; Vachal, Petr; Colletti, Steven L.; Shi, Zhi-Cai | Journal of the American Chemical Society | ||
