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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| GYVS+FS | bisarylethyne |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00262 |
| Smiles | |
| Inchi Key | InChIKey=MNRABEIBXMNVJE-NRYNYGQJSA-N |
| Molecular weight | 842.36 |
| Molecular formula | C42H50N8O11 |
| Chemical name | Peptide information |
| Sequence (one letter) | GYVS+FS |
| Length | 7 |
| Peptide name | tetrapeptide+dipeptide |
| External ID | |
|---|---|
| CAS number | 1672675-15-8 |
| Other information | |
|---|---|
| Application | Synthesis, potentially interesting redox- and photochemical properties |
| Additional function | possible applications in medicinal chemistry and advanced materials |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | no |
| Small molecule | bisarylethyne |
| Small molecule CAS | 1672675-08-9 |
| Small molecule structure | |
| Structure method | 1H- 13C NMR |
| Calculated properties | |
|---|---|
| LogP | -2.04369 |
| Rotatable bonds | 22 |
| H bond donor | 11 |
| H bond acceptor | 11 |
| Polar surface area (PSA) | 321.47000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis of bisarylethyne-peptide conjugates | 2015 | Strack, Martin; Langklotz, Sina; Bandow, Julia E.; Metzler-Nolte, Nils; Bauke Albada, H. | Organic Chemistry Frontiers | ||
