Base information
| Cat. No. | |
| CAS No. | 21649-57-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C23H21N2NaO6S |
| Molecular Weight | 476.477 |
| Exact Mass | 476.102 |
| XLogP3 | 1.0016 |
| Mr | 118.934 |
| PSA | 141.14 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 56 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | O=C(C(C(=O)Oc1ccccc1)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.[Na+] |
