Base information
| Cat. No. | |
| CAS No. | 11056-20-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C55H85N19O21S2 |
| Molecular Weight | 1412.51 |
| Exact Mass | 1411.56 |
| XLogP3 | -1.9914 |
| Mr | 339.566 |
| PSA | 729.95 |
| Sequence | - |
| Atom number | 182 |
| Bond number | 187 |
| Ring number | 6 |
| Rotor number | 41 |
| Residues number | 0 |
| Canonical smiles | OCC[C@H]([C@H]([C@@H](C(=O)N[C@@H](C(O)(C)C)C(=O)NCCC1=N[C@H](CS1)c1scc(n1)C(=O)NCCC(=N)N)C)O)NC(=O)[C@H]([C@H](c1[nH]cnc1)O[C@@H]1O[C@@H](C)[C@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N |
