Base information
| Cat. No. | |
| CAS No. | 100930-18-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C55H79N17O16S2 |
| Molecular Weight | 1298.45 |
| Exact Mass | 1297.53 |
| XLogP3 | 1.0431 |
| Mr | 346.669 |
| PSA | 607.53 |
| Sequence | - |
| Atom number | 169 |
| Bond number | 172 |
| Ring number | 4 |
| Rotor number | 32 |
| Residues number | 0 |
| Canonical smiles | NC(=O)C[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CC(=O)O |
