HuagongsheHuagongshe Chemistry Print Report · For research reference only
Cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt
Polymyxin B heptapeptide · cyclo(diaminobutyryl-diaminobutyryl-phenylalanyl-leucyl-diaminobutyryl-diaminobutyryl-threonyl)
Identifiers & Physical Properties
| CAS No. | 142563-40-4 |
|---|---|
| Molecular formula | C35H61N11O12S |
| Average molar mass | 860 g/mol |
| Monoisotopic mass | 859.4221876 g/mol |
| SMILES | CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC(=O)C(N)CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC1=O.O=S(=O)(O)O |
| InChIKey | OEJLXAYYUXMOTN-UHFFFAOYSA-N |
| PubChem CID | 3083360 |
| DTXSID | DTXSID40931526 |
Chemical & Physical Properties
| Topological polar surface area | 411 |
|---|---|
| Hydrogen bond donors | 14 |
| Hydrogen bond acceptors | 16 |
| Rotatable bonds | 11 |
| Heavy atoms | 59 |
| Formal charge | 0 |
| Complexity | 1,350 |