Base information
| Cat. No. | |
| CAS No. | 117592-22-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C55H82N14O16 |
| Molecular Weight | 1195.32 |
| Exact Mass | 1194.6 |
| XLogP3 | 1.9756 |
| Mr | 308.143 |
| PSA | 499.18 |
| Sequence | - |
| Atom number | 167 |
| Bond number | 169 |
| Ring number | 3 |
| Rotor number | 45 |
| Residues number | 0 |
| Canonical smiles | CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCC(=O)O)CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)Cc1ccccc1)CCC(=O)N)C)Cc1ccc(cc1)O)C |
