Base information
| Cat. No. | |
| CAS No. | 131023-24-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C111H168N30O35 |
| Molecular Weight | 2482.7 |
| Exact Mass | 2481.23 |
| XLogP3 | 2.1382 |
| Mr | 627.687 |
| PSA | 1075.35 |
| Sequence | - |
| Atom number | 344 |
| Bond number | 348 |
| Ring number | 5 |
| Rotor number | 102 |
| 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)O)CCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)[C@H](O)C)[C@H](CC)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)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](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C(C)C)N)C)CO)CC(=O)O)CO)CCC(=O)N)C)CCC(=O)O)CCC(=O)O)Cc1ccc(cc1)O)Cc1ccccc1 |
