Base information
| Cat. No. | |
| CAS No. | 3536-49-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H34CaN2O7S2 |
| Molecular Weight | 602.776 |
| Exact Mass | 602.143 |
| XLogP3 | 6.197 |
| Mr | 149.73 |
| PSA | 154.81 |
| Sequence | - |
| Atom number | 73 |
| Bond number | 74 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | CC[N+](=C1C=CC(=C(c2cc(O)c(cc2S(=O)(=O)[O-])S(=O)(=O)O)c2ccc(cc2)N(CC)CC)C=C1)CC.[CaH2] |
