Base information
| Cat. No. | |
| CAS No. | 854898-49-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H54CaF2N6O12S2 |
| Molecular Weight | 1001.14 |
| Exact Mass | 1000.28 |
| XLogP3 | 3.5486 |
| Mr | 238.366 |
| PSA | 304.26 |
| Sequence | - |
| Atom number | 121 |
| Bond number | 124 |
| Ring number | 6 |
| Rotor number | 16 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)C[C@@H](C[C@@H](C1Cc2c(nc(nc2-c2c1cc(F)cc2)N(S(=O)(=O)C)C)C(C)C)O)O.[O-]C(=O)CC(C[C@H](C1Cc2c(nc(nc2-c2c1cc(F)cc2)N(S(=O)(=O)C)C)C(C)C)O)O.[Ca+2] |
