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CHEBI:749692 - faldaprevir
| Formula | C40H49BrN6O9S |
| Net Charge | 0 |
| Average Mass | 869.836 |
| Monoisotopic Mass | 868.24651 |
| SMILES | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O |
| InChI | InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1 |
| InChIKey | LLGDPTDZOVKFDU-XUHJSTDZSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | antiviral agent A substance that destroys or inhibits replication of viruses. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| faldaprevir (CHEBI:749692) has role anti-HIV agent (CHEBI:64946) |
| faldaprevir (CHEBI:749692) has role antiviral agent (CHEBI:22587) |
| faldaprevir (CHEBI:749692) is a oligopeptide (CHEBI:25676) |
| Synonyms | Source |
|---|---|
| BI 201335 | ChEMBL |
| BI-201335 | ChEMBL |
| BI201335 | ChEMBL |
| Faldaprevir | ChEMBL |
| Citations |
|---|