Base information
| Cat. No. | |
| CAS No. | 64421-69-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C117H199N41O41 |
| Molecular Weight | 2836.08 |
| Exact Mass | 2834.47 |
| XLogP3 | -1.266 |
| Mr | 698.741 |
| PSA | 1378.74 |
| Sequence | - |
| Atom number | 398 |
| Bond number | 399 |
| Ring number | 2 |
| Rotor number | 128 |
| 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[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)CC(C)C)CO)CCCCN)CCC(=O)O)Cc1c[nH]cn1)CO)CCC(=O)O)C(C)C)CC(C)C)C(C)C)CC(=O)N)CC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CC(=O)O)C)CO)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCCN |