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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| GFCYWKTC | DOTA tri(tert-butyl) ester |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00606 |
| Smiles | |
| Inchi Key | InChIKey=RZHKDBRREKOZEW-AAXZNHDCSA-N |
| Molecular weight | 1420.62 |
| Molecular formula | C65H92N14O18S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | GFCYWKTC |
| Length | 8 |
| Peptide name | Edotreotide (TOC) |
| External ID | |
|---|---|
| CAS number | 204318-14-9 |
| 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-d6 |
| Calculated properties | |
|---|---|
| LogP | -9.62759 |
| Rotatable bonds | 26 |
| H bond donor | 17 |
| H bond acceptor | 23 |
| Polar surface area (PSA) | 480.39000 |
| 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 | ||
