Base information
| Cat. No. | |
| CAS No. | 36114-06-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H19N3O4S |
| Molecular Weight | 361.415 |
| Exact Mass | 361.11 |
| XLogP3 | 1.8641 |
| Mr | 96.8589 |
| PSA | 138.03 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 46 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N |
