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.
.
.
Schematic representation of peptide, linker and drug in the peptide-drug conjugates
 |
 |
 |
|
 |
|---|---|---|---|---|
| XAFGX | Nerol |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00698 |
| Smiles | |
| Inchi Key | InChIKey=AZFQNNYWTOULBB-IWXPXJIQSA-N |
| Molecular weight | 563.3 |
| Molecular formula | C32H41N3O6 |
| Chemical name | Peptide information |
| Sequence (one letter) | XAFGX |
| Length | 5 |
| Peptide name | tetrapeptide |
| External ID | |
|---|---|
| CAS number | 1384583-96-3 |
| 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 | Nerol |
| Small molecule CAS | 106-25-2 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | CDCl3, (CD3)CO or DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | 4.76528 |
| Rotatable bonds | 17 |
| H bond donor | 3 |
| H bond acceptor | 4 |
| Polar surface area (PSA) | 122.83000 |
| 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 | ||
