Base information
| Cat. No. | |
| CAS No. | 81165-17-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C46H58N4O12S |
| Molecular Weight | 891.037 |
| Exact Mass | 890.377 |
| XLogP3 | 5.1649 |
| Mr | 245.072 |
| PSA | 216.85 |
| Sequence | - |
| Atom number | 121 |
| Bond number | 128 |
| Ring number | 9 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | OS(=O)(=O)O.CCC1=C[C@@H]2C[N@](C1)CCc1c([C@@](C2)(C(=O)OC)c2cc3c(cc2OC)N([C@@H]2[C@@]43CCN3[C@H]4[C@@](CC)(C=CC3)[C@H]([C@]2(O)C(=O)OC)OC(=O)C)C)[nH]c2c1cccc2 |
