 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
                      
                      |  |  |  |  |  | 
|---|---|---|---|---|
| AFGG | Diacetone-D-glucose | 
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00695 | 
| Smiles | |
| Inchi Key | InChIKey=FLBFPWOPQAGEGP-LOINZFMISA-N | 
| Molecular weight | 726.311 | 
| Molecular formula | C36H46N4O12 | 
| Chemical name | Peptide information | 
| Sequence (one letter) | AFGG | 
| Length | 4 | 
| Peptide name | tetrapeptide | 
| External ID | |
|---|---|
| CAS number | 1384584-01-3 | 
| Other information | |
|---|---|
| Application | Synthesis | 
| Additional function | Potential applications in cell growth regulation, immune responses, intercellular targeting in cancer, and inflammation | 
| Conjugate type | ester | 
| Linker | no | 
| Small molecule | Diacetone-D-glucose | 
| Small molecule CAS | 582-52-5 | 
| Small molecule structure |  | 
| Structure method | 1H- and 13C-NMR | 
| NMR solvent | CDCl3, (CD3)CO or DMSO-d6 | 
| Calculated properties | |
|---|---|
| LogP | 1.62992 | 
| Rotatable bonds | 16 | 
| H bond donor | 4 | 
| H bond acceptor | 10 | 
| Polar surface area (PSA) | 198.08000 | 
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI | 
| Syntheses of chiral N-(protected) tri- and tetrapeptide conjugates | 2012 | Bajaj, Kiran; Panda, Siva S.; El-Nachef, Claudia; Katritzky, Alan R. | Chemical Biology & Drug Design | ||