Base information
| Cat. No. | |
| CAS No. | 83608-80-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C90H146N30O21 |
| Molecular Weight | 1984.31 |
| Exact Mass | 1983.13 |
| XLogP3 | 5.6925 |
| Mr | 519.977 |
| PSA | 868.04 |
| Sequence | - |
| Atom number | 287 |
| Bond number | 290 |
| Ring number | 4 |
| Rotor number | 85 |
| 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)O)CCC(=O)N)CC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)CCCCN)CC(C)C)NC(=O)[C@@H]1CCCN1C(=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](Cc1ccccc1)NC(=O)CNC(=O)CN)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N |
