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
 |
 |
 |
|
 |
|---|---|---|---|---|
| XGPLGVRGA | 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00373 |
| Smiles | |
| Inchi Key | InChIKey=QUFPMZAOQSCKNS-UEDDVQKASA-N |
| Molecular weight | 1062.55 |
| Molecular formula | C48H78N12O13S |
| Chemical name | Peptide information |
| Sequence (one letter) | XGPLGVRGA |
| Length | 9 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 1577256-64-4 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Fulleropeptide conjugates with improved cell penetration property, higher water solubility and possible antimicrobial activity |
| Pharmacological class | other |
| Conjugate type | sulfonamide |
| Linker | no |
| Small molecule | 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide |
| Small molecule CAS | 378230-81-0 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -3.79772 |
| Rotatable bonds | 26 |
| H bond donor | 11 |
| H bond acceptor | 16 |
| Polar surface area (PSA) | 381.11000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
C60 Pyrrolidine Bis-carboxylic Acid Derivative as a Versatile Precursor for Biocompatible Fullerenes | 2014 | Aroua, Safwan; Schweizer, W. Bernd; Yamakoshi, Yoko | Organic Letters | ||
