Base information
| Cat. No. | |
| CAS No. | 1235882-91-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C100H149N31O23 |
| Molecular Weight | 2153.45 |
| Exact Mass | 2152.14 |
| XLogP3 | 5.8176 |
| Mr | 558.773 |
| PSA | 927.02 |
| Sequence | - |
| Atom number | 303 |
| Bond number | 307 |
| Ring number | 5 |
| Rotor number | 90 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCCNC(=N)N)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](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](CCC(=O)O)N)CCCNC(=N)N)CCC(=O)N)Cc1[nH]cnc1)CC(=O)N)Cc1ccccc1)Cc1ccccc1)CC(=O)N)Cc1ccccc1)Cc1ccccc1 |
