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CHEBI:748738 - brecanavir
| Formula | C33H41N3O10S2 |
| Net Charge | 0 |
| Average Mass | 703.836 |
| Monoisotopic Mass | 703.22334 |
| SMILES | [H][C@]12OCC[C@@]1([H])[C@@H](OC(=O)N[C@@H](Cc1ccc(OCc3csc(C)n3)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc3c(c1)OCO3)CO2 |
| InChI | InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1 |
| InChIKey | JORVRJNILJXMMG-OLNQLETPSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| brecanavir (CHEBI:748738) has role anti-HIV agent (CHEBI:64946) |
| brecanavir (CHEBI:748738) is a benzenes (CHEBI:22712) |
| brecanavir (CHEBI:748738) is a organic amino compound (CHEBI:50047) |
| INN | Source |
|---|---|
| brecanavir | WHO MedNet |
| Synonyms | Source |
|---|---|
| GW-640385 | ChEMBL |
| GW640385 | ChEMBL |
| GW-640385X | ChEMBL |
| GW-64085X | ChEMBL |
| GW64085X | ChEMBL |
| Citations |
|---|