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
 |
 |
 |
|
 |
|---|---|---|---|---|
| GCMGL | Palmitic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01577 |
| Smiles | |
| Inchi Key | InChIKey=OPUWPLMSMRHTCS-UHFFFAOYSA-N |
| Molecular weight | 857.501 |
| Molecular formula | C42H75N5O9S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | GCMGL |
| Length | 5 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 236424-84-3 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Possible applications for the synthesis of functionalized lipidated peptides carrying e.g. fuorescent labels or biotin units |
| Pharmacological class | other |
| Conjugate type | tioester |
| Linker | no |
| Small molecule | Palmitic acid |
| Small molecule CAS | 57-10-3 |
| Small molecule structure | |
| Structure method | 1H- and 13C NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 6.78155 |
| Rotatable bonds | 37 |
| H bond donor | 5 |
| H bond acceptor | 7 |
| Polar surface area (PSA) | 198.10000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis of the palmitoylated and prenylated C-terminal lipopeptides of the human R- and N-Ras proteins | 1999 | Schmittberger, T.; Waldmann, H. | Bioorganic & Medicinal Chemistry | ||
