Base information
| Cat. No. | |
| CAS No. | 121341-81-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C97H146N28O36S |
| Molecular Weight | 2312.43 |
| Exact Mass | 2311.02 |
| XLogP3 | -2.6658 |
| Mr | 568.478 |
| PSA | 1065.64 |
| Sequence | - |
| Atom number | 308 |
| Bond number | 311 |
| Ring number | 4 |
| Rotor number | 97 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=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)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CS)C)CC(=O)O)CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](N)C)CCCCN)CC(=O)O)CCC(=O)O |
