HuagongsheHuagongshe Chemistry Print Report · For research reference only
alpha-l-Aspartyl-DL-isovaline (s)-alpha-ethylbenzylamide
Identifiers & Physical Properties
| Molecular formula | C18H27N3O4 |
|---|---|
| Average molar mass | 349.4 g/mol |
| SMILES | CC[C@H](NC(=O)C(C)(CC)NC(=O)[C@@H](N)CC(=O)O)c1ccccc1 |
| InChIKey | DSAALGTYXWVNME-QPKCZYJBSA-N |
| PubChem CID | 131720541 |
Chemical & Physical Properties
| XLogP | -1.2 |
|---|---|
| Topological polar surface area | 122 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 9 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 477 |