Base information
| Cat. No. | |
| CAS No. | 1002295-95-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C122H203N39O34 |
| Molecular Weight | 2760.16 |
| Exact Mass | 2758.54 |
| XLogP3 | 3.4336 |
| Mr | 703.028 |
| PSA | 1230.93 |
| Sequence | - |
| Atom number | 398 |
| Bond number | 400 |
| Ring number | 3 |
| Rotor number | 122 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)CO)C)CCCCN)CCCCN)CCCCN)CCC(=O)N)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)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](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C)CCC(=O)O)CCC(=O)O)CCCNC(=N)N)C)C)C)CCC(=O)N)C)CCC(=O)N)Cc1ccccc1)CCCNC(=N)N |
