Base information
| Cat. No. | |
| CAS No. | 1393-48-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C72H85N19O18S5 |
| Molecular Weight | 1664.89 |
| Exact Mass | 1663.49 |
| XLogP3 | 4.0864 |
| Mr | 458.857 |
| PSA | 701 |
| Sequence | - |
| Atom number | 199 |
| Bond number | 208 |
| Ring number | 10 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | C/C=C\1/NC(=O)[C@@H](NC(=O)c2csc(n2)[C@]23CCC(=N[C@H]3c3csc(n3)[C@@H](NC(=O)c3nc([C@@H](NC(=O)[C@@H]4N=C1SC4)[C@]([C@H](O)C)(O)C)sc3)[C@@H](C)OC(=O)c1cc([C@@H](O)C)c3c(n1)[C@@H](O)[C@@H](C=C3)N[C@H](C(=O)N[C@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)N2)C)C)C(CC)C)c1scc(n1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)[C@H](O)C |
