Base information
| Cat. No. | |
| CAS No. | 31418-71-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C35H53FeN6O13 |
| Molecular Weight | 821.673 |
| Exact Mass | 821.302 |
| XLogP3 | 1.3771 |
| Mr | 203.485 |
| PSA | 284.17 |
| Sequence | - |
| Atom number | 108 |
| Bond number | 107 |
| Ring number | 1 |
| Rotor number | 29 |
| Residues number | 0 |
| Canonical smiles | OCC/C(=C/C(=O)N(CCC[C@@H](C(=O)OCC/C(=C/C(=O)N(CCC[C@@H]1NC(=O)[C@@H](NC1=O)CCCN(C(=O)/C=C(/CCO)\C)[O-])[O-])/C)NC(=O)C)[O-])/C.[Fe+3] |
