Base information
| Cat. No. | |
| CAS No. | 158859-98-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C110H170N34O24 |
| Molecular Weight | 2352.74 |
| Exact Mass | 2351.31 |
| XLogP3 | 6.6646 |
| Mr | 640.552 |
| PSA | 972.96 |
| Sequence | - |
| Atom number | 338 |
| Bond number | 344 |
| Ring number | 7 |
| Rotor number | 74 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]([C@@H](C(=O)N[C@H]1CCC(=O)NCC(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NCC(NC(=O)[C@H]2N(C1=O)CCC2)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)Cc1ccc(cc1)O)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)Cc1ccc(cc1)O)NC(=O)[C@H]([C@H](CC)C)N)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)Cc1ccc(cc1)O)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)Cc1ccc(cc1)O)N)C |
