Base information
| Cat. No. | |
| CAS No. | 150829-21-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C79H131N31O25S |
| Molecular Weight | 1947.14 |
| Exact Mass | 1945.97 |
| XLogP3 | -1.7508 |
| Mr | 487.27 |
| PSA | 994.91 |
| Sequence | - |
| Atom number | 267 |
| Bond number | 269 |
| Ring number | 3 |
| Rotor number | 84 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CCCNC(=N)N)CS)CC(=O)N)CO)Cc1ccccc1)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCNC(=N)N)CC(=O)N)CO)CCC(=O)N |
