Base information
| Cat. No. | |
| CAS No. | 68170-69-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C46H56N4O9 |
| Molecular Weight | 808.958 |
| Exact Mass | 808.405 |
| XLogP3 | 4.9793 |
| Mr | 231.914 |
| PSA | 150.94 |
| Sequence | - |
| Atom number | 115 |
| Bond number | 123 |
| Ring number | 9 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]1CN2CCc3c([C@@](C[C@@H](C1)C2)(C(=O)OC)c1cc2c(cc1OC)N([C@@H]1[C@@]42CCN2[C@H]4[C@@](CC)(C=CC2)[C@H]([C@]1(O)C(=O)OC)OC(=O)C)C=O)[nH]c1c3cccc1 |
