Base information
| Cat. No. | |
| CAS No. | 150238-87-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C112H178N36O27 |
| Molecular Weight | 2460.84 |
| Exact Mass | 2459.37 |
| XLogP3 | 6.0868 |
| Mr | 638.762 |
| PSA | 1075.5 |
| Sequence | - |
| Atom number | 353 |
| Bond number | 357 |
| Ring number | 5 |
| Rotor number | 105 |
| 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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCNC(=N)N)CO)CC(C)C)C)Cc1c[nH]c2c1cccc2)CCCCN)CC(=O)N)Cc1c[nH]c2c1cccc2)CCCCN)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(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCNC(=N)N)CC(C)C)CC(=O)O)C)CO)CCC(=O)O)Cc1ccccc1)CCCNC(=N)N |