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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| XXX | 2-[(11aS)-1,3,4,11a-tetrahydro-6-oxo-2H-benzo[b]quinolizin-11(6H)-ylidene]-, (2Z)-acetic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01482 |
| Smiles | |
| Inchi Key | InChIKey=KVKIPWIIZALJPU-UHFFFAOYSA-N |
| Molecular weight | 568.326 |
| Molecular formula | C31H44N4O6 |
| Chemical name | Peptide information |
| Sequence (one letter) | XXX |
| Length | 3 |
| Peptide name | tripeptide |
| External ID | |
|---|---|
| CAS number | 496803-27-1 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Possible applications in brain ischemia, multiple sclerosis, Alzheimer×s disease, muscular dystrophy and other degenerative diseases |
| Pharmacological class | neurological |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 2-[(11aS)-1,3,4,11a-tetrahydro-6-oxo-2H-benzo[b]quinolizin-11(6H)-ylidene]-, (2Z)-acetic acid |
| Small molecule CAS | 496802-83-6 |
| Structure method | 1H- and 13C NMR, MS |
| NMR solvent | DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | 3.31902 |
| Rotatable bonds | 14 |
| H bond donor | 3 |
| H bond acceptor | 5 |
| Polar surface area (PSA) | 133.91000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Advanced Synthesis & Catalysis | 2002 | Mann, Enrique; Chana, Antonio; Sanchez-Sancho, Francisco; Puerta, Carmen; Garcia-Merino, Antonio; Herradon, Bernardo | Advanced Synthesis & Catalysis | ||
