Base information
| Cat. No. | |
| CAS No. | 89991-90-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C63H98N16O23S3 |
| Molecular Weight | 1543.74 |
| Exact Mass | 1542.62 |
| XLogP3 | -0.369 |
| Mr | 378.138 |
| PSA | 701.72 |
| Sequence | - |
| Atom number | 203 |
| Bond number | 204 |
| Ring number | 2 |
| Rotor number | 63 |
| Residues number | 0 |
| Canonical smiles | CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CSCNC(=O)C)[C@H](O)C)Cc1ccc(cc1)O)CO)CC(=O)O)CC(C)C)CO)CCC(=O)O)[C@H](CC)C)Cc1c[nH]cn1)NC(=O)[C@H](CSCNC(=O)C)N |
