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
 |
 |
 |
|
 |
|---|---|---|---|---|
| XFFA | succinic acid | Oleanolic acid dye |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00563 |
| Smiles | |
| Inchi Key | InChIKey=NFBYAUCFCMDKNW-LKLCAHAESA-N |
| Molecular weight | 949.582 |
| Molecular formula | C57H79N3O9 |
| Chemical name | Peptide information |
| Sequence (one letter) | XFFA |
| Length | 4 |
| Peptide name | tripeptide |
| External ID | |
|---|---|
| CAS number | 2050093-72-4 |
| Other information | |
|---|---|
| Application | Synthesis, encapsulation of dye molecules and basicity increase |
| Additional function | Potential applications in nanoscience and nanotechnology |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | succinic acid |
| Small molecule | Oleanolic acid dye |
| Small molecule CAS | 22621-67-6 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| Calculated properties | |
|---|---|
| LogP | 8.85571 |
| Rotatable bonds | 18 |
| H bond donor | 3 |
| H bond acceptor | 6 |
| Polar surface area (PSA) | 166.20000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Organogels of triterpenoid-tripeptide conjugates: Encapsulation of dye molecules and basicity increase associated with aggregation | 2013 | Lu, Jinrong; Gao, Yuxia; Wu, Jindan; Ju, Yong | RSC Advances | ||
