Base information
| Cat. No. | |
| CAS No. | 42476-21-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H22N7NaO7 |
| Molecular Weight | 495.421 |
| Exact Mass | 495.148 |
| XLogP3 | -0.1818 |
| Mr | 124.579 |
| PSA | 222.67 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 58 |
| Ring number | 3 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | O=CN1C(CNc2ccc(cc2)C(=O)N[C@H](C(=O)[O-])CCC(=O)O)CNc2c1c(=O)nc([nH]2)N.[Na+] |
