HuagongsheHuagongshe Chemistry Print Report · For research reference only
Acetylalanylalanylprolyl-2-azaalanine ethyl ester
Identifiers & Physical Properties
| Molecular formula | C17H29N5O6 |
|---|---|
| Average molar mass | 399.4 g/mol |
| Monoisotopic mass | 399.21178366 g/mol |
| SMILES | CCOC(=O)N(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O |
| InChIKey | UCNUIADSJWLDDC-GVXVVHGQSA-N |
| PubChem CID | 54346309 |
| ChEMBL | CHEMBL3272691 |
Chemical & Physical Properties
| XLogP | -0.9 |
|---|---|
| Topological polar surface area | 137 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 7 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 625 |