Base information
| Cat. No. | |
| CAS No. | 37051-00-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H21N3O4S |
| Molecular Weight | 351.421 |
| Exact Mass | 351.125 |
| XLogP3 | 1.6017 |
| Mr | 93.8189 |
| PSA | 138.03 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 47 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=C([C@@H](C1=CCCCC1)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C |
