Base information
| Cat. No. | |
| CAS No. | 64925-80-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C36H45ClN6O12 |
| Molecular Weight | 789.228 |
| Exact Mass | 788.278 |
| XLogP3 | 2.2785 |
| Mr | 207.798 |
| PSA | 273.03 |
| Sequence | - |
| Atom number | 100 |
| Bond number | 102 |
| Ring number | 3 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | CN[C@H]1C(=O)N[C@@H](C(=C)C)C(=O)N[C@@H]([C@@](Oc2cc([C@H]1O)cc(c2O)Cl)(C)CC)C(=O)N1CC=C[C@H]1C(=O)N/C(=C(/CC)\C)/C(=O)N/C(=C/C(=O)O)/C(=O)O |
