Base information
| Cat. No. | |
| CAS No. | 142988-22-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C90H120N22O16S |
| Molecular Weight | 1798.12 |
| Exact Mass | 1796.9 |
| XLogP3 | 10.3672 |
| Mr | 486.459 |
| PSA | 554.62 |
| Sequence | - |
| Atom number | 249 |
| Bond number | 257 |
| Ring number | 9 |
| Rotor number | 59 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]([C@@H](C(=O)N[C@H](C(=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](O)C)CCNc1cccc2c1cccc2S(=O)(=O)O)Cc1nc[nH]c1)[C@H](CC)C)C(C)C)CC(C)C)Cc1nc[nH]c1)Cc1ccccc1)Cc1nc[nH]c1)NC(=O)CCCNC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C |
