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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XLL | Vitamin B3 (nicotinic acid) |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00670 |
| Smiles | |
| Inchi Key | InChIKey=UVBRRCMCHWBKAE-GJZGRUSLSA-N |
| Molecular weight | 349.2 |
| Molecular formula | C18H27N3O4 |
| Chemical name | Peptide information |
| Sequence (one letter) | XLL |
| Length | 3 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 1403487-43-3 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Microwave-assister formation of peptide–vitamin conjugates |
| Conjugate type | amide |
| Linker | no |
| Small molecule | Vitamin B3 (nicotinic acid) |
| Small molecule CAS | 59-67-6 |
| Small molecule structure | |
| Structure method | 1H-NMR |
| NMR solvent | CDCl3, (CD3)CO or DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | 1.23487 |
| Rotatable bonds | 9 |
| H bond donor | 3 |
| H bond acceptor | 5 |
| Polar surface area (PSA) | 108.39000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Microwave-assisted formation of peptide-vitamin conjugates | 2012 | El-Nachef, Claudia; Bajaj, Kiran; Koblick, Jacqueline; Katritzky, Alan R. | European Journal of Organic Chemistry | ||
