Base information
| Cat. No. | |
| CAS No. | 125378-99-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C33H49N5O7S |
| Molecular Weight | 659.836 |
| Exact Mass | 659.335 |
| XLogP3 | 6.06296 |
| Mr | 172.036 |
| PSA | 211.16 |
| Sequence | - |
| Atom number | 95 |
| Bond number | 99 |
| Ring number | 5 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | [N-]=[N+]=Nc1ccc(cc1)C(=O)N[C@@H]1C[C@@H]2C[C@H](O)CC[C@@]2(C2C1C1CC[C@@H]([C@@]1(C)[C@H](C2)O)[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C |
