 Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
                        Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
                      
                      3D model is for representation purpose only.
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 Schematic representation of peptide, linker and drug in the peptide-drug conjugates
                        Schematic representation of peptide, linker and drug in the peptide-drug conjugates
                      
                      |  |  |  |  |  | 
|---|---|---|---|---|
| MHK | (3α,5β,7α,12α)-3,7,12-Triaminocholan-24-ol | 
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01364 | 
| Smiles | |
| Molecular weight | 1579.94 | 
| Molecular formula | C75H129N21O10S3 | 
| Chemical name | Peptide information | 
| Sequence (one letter) | MHK | 
| Length | 3 | 
| Peptide name | tripeptide | 
| External ID | |
|---|---|
| CAS number | 786709-48-6 | 
| Other information | |
|---|---|
| Application | Antibiotic, antibacterial | 
| Pharmacological class | antimicrobial, antibacterial | 
| Conjugate type | amide | 
| Linker | no | 
| Small molecule | (3α,5β,7α,12α)-3,7,12-Triaminocholan-24-ol | 
| Small molecule CAS | 222165-77-7 | 
| Structure method | 1H- and 13C NMR | 
| Calculated properties | |
|---|---|
| LogP | -3.53721 | 
| Rotatable bonds | 49 | 
| H bond donor | 19 | 
| H bond acceptor | 19 | 
| Polar surface area (PSA) | 524.29000 | 
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI | 
| Synthesis and Characterization of Peptide-Cationic Steroid Antibiotic Conjugates | 2004 | Ding, Bangwei; Taotofa, Uale; Orsak, Thomas; Chadwell, Matthew; Savage, Paul B. | Organic Letters | ||