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
 |
 |
 |
|
 |
|---|---|---|---|---|
| RGDFK | 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01081 |
| Smiles | |
| Molecular weight | 1068.53 |
| Molecular formula | C51H76N10O13S |
| Chemical name | Peptide information |
| Sequence (one letter) | RGDFK |
| Length | 5 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 1008519-19-4 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | possible applications in tumor imaging and therapy, synthetic vaccines, beta-sheet structures |
| Pharmacological class | anticancer |
| Conjugate type | sulfonamide |
| Linker | no |
| Small molecule | 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid |
| Small molecule CAS | 745073-71-6 |
| Structure method | 1H and 13C NMR, RP-HPLC |
| Calculated properties | |
|---|---|
| LogP | 2.17998 |
| Rotatable bonds | 21 |
| H bond donor | 9 |
| H bond acceptor | 15 |
| Polar surface area (PSA) | 323.00000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
1-Ethoxyethylidene, a New Group for the Stepwise SPPS of Aminooxyacetic Acid Containing Peptides | 2008 | Foillard, Stephanie; Ohsten Rasmussen, Martin; Razkin, Jesus; Boturyn, Didier; Dumy, Pascal | Journal of Organic Chemistry | ||
