bantag-1
| SMILES | CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C |
| InChIKey | DAWSYEXBFLQUER-SLMIJXFKSA-P |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 23 |
| Molecular weight (Da) | 894.6 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |