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
 |
 |
 |
|
 |
|---|---|---|---|---|
| KK | 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c′]dipyrrole-2(1H)-acetic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01416 |
| Smiles | |
| Inchi Key | InChIKey=CKEMYRBYICYJAI-UHFFFAOYSA-N |
| Molecular weight | 1038.51 |
| Molecular formula | C54H70N8O13 |
| Chemical name | Peptide information |
| Sequence (one letter) | KK |
| Length | 2 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 656248-80-5 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Selfassembly |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 3,5,6,7-tetrahydro-6-octyl-1,3,5,7-tetraoxo-benzo[1,2-c:4,5-c′]dipyrrole-2(1H)-acetic acid |
| Small molecule CAS | 656248-75-8 |
| Structure method | 1H NMR, HPLC |
| NMR solvent | DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | 3.73068 |
| Rotatable bonds | 31 |
| H bond donor | 4 |
| H bond acceptor | 13 |
| Polar surface area (PSA) | 289.14000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Zipper-Featured δ-Peptide Foldamers Driven by Donor-Acceptor Interaction. Design, Synthesis, and Characterization | 2004 | Zhao, Xin; Jia, Mu-Xin; Jiang, Xi-Kui; Wu, Li-Zhu; Li, Zhan-Ting; Chen, Guang-Ju | Journal of Organic Chemistry | ||
