Base information
| Cat. No. | |
| CAS No. | 87726-17-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H21N3O4S |
| Molecular Weight | 339.41 |
| Exact Mass | 339.125 |
| XLogP3 | 0.6743 |
| Mr | 95.3403 |
| PSA | 130.23 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 46 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | C[C@H]([C@H]1C(=O)N2[C@@H]1CC(=C2C(=O)O)S[C@H]1CCN(C1)C(=N)C)O |
