Base information
| Cat. No. | |
| CAS No. | 216862-58-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C55H81N13O18S |
| Molecular Weight | 1244.37 |
| Exact Mass | 1243.55 |
| XLogP3 | 2.123 |
| Mr | 311.301 |
| PSA | 571.05 |
| Sequence | - |
| Atom number | 168 |
| Bond number | 169 |
| Ring number | 2 |
| Rotor number | 49 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccc(cc1)O)CS)CC(=O)N)CC(C)C)CC(=O)N |
