Base information
| Cat. No. | |
| CAS No. | 583037-91-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C42H36N10O10S |
| Molecular Weight | 872.861 |
| Exact Mass | 872.234 |
| XLogP3 | 4.8525 |
| Mr | 229.29 |
| PSA | 342.42 |
| Sequence | - |
| Atom number | 99 |
| Bond number | 106 |
| Ring number | 8 |
| Rotor number | 16 |
| Residues number | 0 |
| Canonical smiles | NC(=O)CC[C@H](N(C(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)[nH]c(n2)N)CCNC(=S)Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O)C(=O)O |
