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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| RGD | (1′R,3′R,4′aS,4′bR,6′aS,8′S,10′aS,10′bS,12′aS)-1′-[1H]phenanthro[2,1-c]pyran]-3′-carboxylic acid, octadecahydro-8′-methoxy-10′a,12′a-dimethyl-Spiro[furan-2(3H) |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01062 |
| Smiles | |
| Inchi Key | InChIKey=BSLVMUFUIGHAFH-UHFFFAOYSA-N |
| Molecular weight | 733.437 |
| Molecular formula | C36H59N7O9 |
| Chemical name | Peptide information |
| Sequence (one letter) | RGD |
| Length | 3 |
| Peptide name | tripeptide |
| External ID | |
|---|---|
| CAS number | 1095493-09-6 |
| Other information | |
|---|---|
| Application | Integrin antagonist |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | no |
| Small molecule | (1′R,3′R,4′aS,4′bR,6′aS,8′S,10′aS,10′bS,12′aS)-1′-[1H]phenanthro[2,1-c]pyran]-3′-carboxylic acid, octadecahydro-8′-methoxy-10′a,12′a-dimethyl-Spiro[furan-2(3H) |
| Small molecule CAS | 1095492-78-6 |
| Structure method | 1H and 13C NMR, RP-HPLC |
| Calculated properties | |
|---|---|
| LogP | -1.81643 |
| Rotatable bonds | 14 |
| H bond donor | 8 |
| H bond acceptor | 12 |
| Polar surface area (PSA) | 257.28000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Triple Hybrids of Steroids, Spiroketals, and Oligopeptides as New Biomolecular Chimeras | 2009 | Banerjee, Abhisek; Sergienko, Eduard; Vasile, Stefan; Gupta, Vineet; Vuori, Kristiina; Wipf, Peter | Organic Letters | ||
