HuagongsheHuagongshe Chemistry Print Report · For research reference only
SC 50083
Identifiers & Physical Properties
| CAS No. | 156465-93-9 |
|---|---|
| Molecular formula | C37H63N3O6 |
| Average molar mass | 645.9 g/mol |
| Monoisotopic mass | 645.47168674 g/mol |
| SMILES | CCCCC(O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)N[C@@H](CC(C)C)C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |
| InChIKey | PRMNXBQTGXAPIR-YFUMYMLSSA-N |
| PubChem CID | 190840 |
| DTXSID | DTXSID00935464 |
Chemical & Physical Properties
| XLogP | 8.2 |
|---|---|
| Topological polar surface area | 137 |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 20 |
| Heavy atoms | 46 |
| Formal charge | 0 |
| Complexity | 894 |