Base information
| Cat. No. | |
| CAS No. | 84324-56-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H27N6NaO10S2 |
| Molecular Weight | 694.668 |
| Exact Mass | 694.113 |
| XLogP3 | 0.3139 |
| Mr | 163.557 |
| PSA | 276.55 |
| Sequence | - |
| Atom number | 74 |
| Bond number | 77 |
| Ring number | 5 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | O=C([C@@H](c1ccccc1)NC(=O)c1nc[nH]c1C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)CCS(=O)(=O)O.[NaH] |
