Base information
| Cat. No. | |
| CAS No. | 4800-94-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H19N2NaO6S |
| Molecular Weight | 402.397 |
| Exact Mass | 402.086 |
| XLogP3 | 0.9278 |
| Mr | 97.5473 |
| PSA | 149.31 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 47 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O=C(C(c1ccccc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C.[NaH] |
