Base information
| Cat. No. | |
| CAS No. | 68728-47-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H20N3NaO6S |
| Molecular Weight | 405.401 |
| Exact Mass | 405.097 |
| XLogP3 | -0.059 |
| Mr | 96.2361 |
| PSA | 190.11 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 47 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | O=C(C(c1ccc(cc1)O)N)NC(C1NC(C(S1)(C)C)C(=O)[O-])C(=O)O.[Na+] |
