Base information
| Cat. No. | |
| CAS No. | 2185805-14-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H54CaF2N6O12S2 |
| Molecular Weight | 1001.14 |
| Exact Mass | 1000.28 |
| XLogP3 | 4.2094 |
| Mr | 243.588 |
| PSA | 365.1 |
| Sequence | - |
| Atom number | 121 |
| Bond number | 122 |
| Ring number | 4 |
| Rotor number | 22 |
| Residues number | 0 |
| Canonical smiles | CCN(c1nc(C(C)C)c(c(n1)c1ccc(cc1)F)/C=C/[C@H](C[C@@H](CC(=O)[O-])O)O)S(=O)=O.CCN(c1nc(C(C)C)c(c(n1)c1ccc(cc1)F)/C=C/[C@H](C[C@@H](CC(=O)[O-])O)O)S(=O)=O.[Ca+2] |
