Base information
| Cat. No. | |
| CAS No. | 259886-51-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C48H48N32O16 |
| Molecular Weight | 1329.1 |
| Exact Mass | 1328.39 |
| XLogP3 | -9.5392 |
| Mr | 407.376 |
| PSA | 376.8 |
| Sequence | - |
| Atom number | 144 |
| Bond number | 168 |
| Ring number | 25 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1N2CN3C(=O)N4[C@@H]5[C@H]3N3CN6[C@H]2[C@@H]2N1CN1C(=O)N7[C@H]8[C@@H]1N(CN2C6=O)C(=O)N8CN1[C@@H]2N(C7)C(=O)N6[C@@H]2N(C1=O)CN1[C@@H]2N(C6)C(=O)N6[C@@H]2N(C1=O)CN1[C@@H]2N(C6)C(=O)N6CN7C(=O)N8CN9C(=O)N(C4)[C@@H]4N(CN5C3=O)C(=O)N([C@H]94)CN3[C@@H]8[C@@H]7N(C3=O)CN([C@H]26)C1=O |
