Base information
| Cat. No. | |
| CAS No. | 138831-86-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C45H74N10O13 |
| Molecular Weight | 963.128 |
| Exact Mass | 962.544 |
| XLogP3 | 2.8716 |
| Mr | 248.114 |
| PSA | 393.66 |
| Sequence | - |
| Atom number | 142 |
| Bond number | 142 |
| Ring number | 1 |
| Rotor number | 40 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](CO)N)CC(=O)N)Cc1ccccc1)CCC(=O)O |
