Base information
| Cat. No. | |
| CAS No. | 2055896-98-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C54H65ClN9O9+ |
| Molecular Weight | 1019.6 |
| Exact Mass | 1018.46 |
| XLogP3 | 8.1118 |
| Mr | 287.285 |
| PSA | 245.36 |
| Sequence | - |
| Atom number | 138 |
| Bond number | 144 |
| Ring number | 7 |
| Rotor number | 29 |
| Residues number | 0 |
| Canonical smiles | ClC[C@@H]1CN(c2c1c1ccccc1c(c2)O)C(=O)c1cc2c([nH]1)ccc(c2)OCC[N+](Cc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)CCCCCN1C(=O)C=CC1=O)CCCNC(=O)N)(C)C |
