Base information
| Cat. No. | |
| CAS No. | 126602-89-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C87H117N13O19S2 |
| Molecular Weight | 1713.07 |
| Exact Mass | 1711.8 |
| XLogP3 | 6.7404 |
| Mr | 485.289 |
| PSA | 441.3 |
| Sequence | - |
| Atom number | 238 |
| Bond number | 247 |
| Ring number | 11 |
| Rotor number | 18 |
| Residues number | 0 |
| Canonical smiles | CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@H]3N(C1=O)CCC3)C)Cc1ccc(cc1)N(C)C)C[C@@H](CS[C@@H]1CN3CCC1CC3)C(=O)C2)c1ccccc1.CCN(CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H](C(C)C)[C@H](C)/C=C/C(=O)NC/C=C\C(=C\[C@H](CC(=O)Cc1nc(C2=O)co1)O)\C)CC |
