Base information
| Cat. No. | |
| CAS No. | 664334-36-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C97H144FN33O19S2 |
| Molecular Weight | 2159.52 |
| Exact Mass | 2158.07 |
| XLogP3 | 8.6834 |
| Mr | 598.701 |
| PSA | 942.64 |
| Sequence | - |
| Atom number | 296 |
| Bond number | 302 |
| Ring number | 7 |
| Rotor number | 60 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2 |
