Base information
| Cat. No. | |
| CAS No. | 172485-26-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C146H260N52O32 |
| Molecular Weight | 3255.96 |
| Exact Mass | 3254.03 |
| XLogP3 | 9.0109 |
| Mr | 858.121 |
| PSA | 1387.93 |
| Sequence | - |
| Atom number | 490 |
| Bond number | 492 |
| Ring number | 3 |
| Rotor number | 147 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=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)NCC(=O)O)C)[C@H](CC)C)CCCNC(=N)N)[C@H](CC)C)[C@H](CC)C)CCCNC(=N)N)CC(C)C)C(C)C)[C@H](O)C)Cc1ccc(cc1)O)CCCCN)NC(=O)[C@H](C(C)C)NC(=O)CNC(=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)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)CCCCN)C)Cc1nc[nH]c1 |