Base information
| Cat. No. | |
| CAS No. | 2098836-50-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C48H58ClN9O7S3 |
| Molecular Weight | 1004.68 |
| Exact Mass | 1003.33 |
| XLogP3 | 6.6118 |
| Mr | 274.831 |
| PSA | 284.04 |
| Sequence | - |
| Atom number | 126 |
| Bond number | 132 |
| Ring number | 7 |
| Rotor number | 24 |
| Residues number | 0 |
| Canonical smiles | O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(SCCOCCOCCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(-n3c1nnc3C)sc(c2C)C)(C)C)NC(=O)C)C(=O)NCc1ccc(cc1)c1scnc1C |
