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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| VKDGYI | DOTA tri(tert-butyl) ester |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00608 |
| Smiles | |
| Inchi Key | InChIKey=HKEPLMVRXMHUST-LTTAVLOWSA-N |
| Molecular weight | 1078.57 |
| Molecular formula | C48H78N12O16 |
| Chemical name | Peptide information |
| Sequence (one letter) | VKDGYI |
| Length | 6 |
| Peptide name | hexapeptide |
| External ID | |
|---|---|
| CAS number | 1412494-60-0 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Bifunctional prochelator for the preparation of DOTA-peptide conjugates |
| Conjugate type | amine |
| Linker | no |
| Small molecule | DOTA tri(tert-butyl) ester |
| Small molecule CAS | 137076-54-1 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | DMSO-d8 |
| Calculated properties | |
|---|---|
| LogP | -8.95325 |
| Rotatable bonds | 31 |
| H bond donor | 13 |
| H bond acceptor | 21 |
| Polar surface area (PSA) | 426.10000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
DOTA-tris(OPp ester) as a bifunctional prochelator for the preparation of DOTA-peptide conjugates | 2012 | Jamous, Mazen; Haberkorn, Uwe; Mier, Walter | Tetrahedron Letters | ||
