Base information
| Cat. No. | |
| CAS No. | 2112738-13-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C39H50N8O14 |
| Molecular Weight | 854.859 |
| Exact Mass | 854.345 |
| XLogP3 | 3.9756 |
| Mr | 219.494 |
| PSA | 308.71 |
| Sequence | - |
| Atom number | 111 |
| Bond number | 113 |
| Ring number | 3 |
| Rotor number | 33 |
| Residues number | 0 |
| Canonical smiles | O=C(N[C@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)COC(=O)Oc1ccc(cc1)[N+](=O)[O-])CCCNC(=O)N)C(C)C)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O |
