Base information
| Cat. No. | |
| CAS No. | 41444-66-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H21N4NaO8S2 |
| Molecular Weight | 556.544 |
| Exact Mass | 556.07 |
| XLogP3 | 0.3284 |
| Mr | 130.257 |
| PSA | 224.56 |
| Sequence | - |
| Atom number | 58 |
| Bond number | 60 |
| Ring number | 4 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | O=C(C(S(=O)(=O)O)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)C(=O)N.[NaH] |
