 Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
                        Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
                      
                      3D model is for representation purpose only.
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 Schematic representation of peptide, linker and drug in the peptide-drug conjugates
                        Schematic representation of peptide, linker and drug in the peptide-drug conjugates
                      
                      |  |  |  |  |  | 
|---|---|---|---|---|
| PWF | (R)-5-oxo-2-pyrrolidinecarboxamide | 
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00083 | 
| Smiles | |
| Inchi Key | InChIKey=SILRPVHAHPQTCA-CCAFKRHPSA-N | 
| Molecular weight | 629.231 | 
| Molecular formula | C33H35N5O6S | 
| Chemical name | Peptide information | 
| Sequence (one letter) | PWF | 
| Length | 3 | 
| Peptide name | tripeptide, linear | 
| External ID | |
|---|---|
| CAS number | 2230864-67-0 | 
| Other information | |
|---|---|
| Application | Synthesis, tryptophan chemoselective beta?position conjugation | 
| Additional function | Possible appications as protein labeling and various bioconjugations | 
| Pharmacological class | other | 
| Conjugate type | amide | 
| Linker | no | 
| Small molecule | (R)-5-oxo-2-pyrrolidinecarboxamide | 
| Small molecule CAS | 118929-65-0 | 
| Small molecule structure |  | 
| Structure method | NMR | 
| Calculated properties | |
|---|---|
| LogP | 1.49895 | 
| Rotatable bonds | 13 | 
| H bond donor | 5 | 
| H bond acceptor | 6 | 
| Polar surface area (PSA) | 180.32000 | 
| 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 | ||