EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C41H50N8O8 |
| Net Charge | 0 |
| Average Mass | 782.899 |
| Monoisotopic Mass | 782.37516 |
| SMILES | COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)c4c3OCO4)cc2)n1)C(C)C |
| InChI | InChI=1S/C41H50N8O8/c1-22(2)32(46-40(52)54-5)38(50)48-17-7-9-30(48)36-42-19-28(44-36)25-13-11-24(12-14-25)26-15-16-27(35-34(26)56-21-57-35)29-20-43-37(45-29)31-10-8-18-49(31)39(51)33(23(3)4)47-41(53)55-6/h11-16,19-20,22-23,30-33H,7-10,17-18,21H2,1-6H3,(H,42,44)(H,43,45)(H,46,52)(H,47,53)/t30-,31-,32-,33-/m0/s1 |
| InChIKey | JBYJTCVXUMWTJJ-YRCZKMHPSA-N |
| Roles Classification |
|---|
| Biological Role: | antiviral agent A substance that destroys or inhibits replication of viruses. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| coblopasvir (CHEBI:759925) has role antiviral agent (CHEBI:22587) |
| coblopasvir (CHEBI:759925) is a valine derivative (CHEBI:27267) |
| Synonym | Source |
|---|---|
| Coblopasvir | ChEMBL |