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CHEBI:44032 - indinavir
| Formula | C36H47N5O4 |
| Net Charge | 0 |
| Average Mass | 613.803 |
| Monoisotopic Mass | 613.36280 |
| SMILES | CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O |
| InChI | InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 |
| InChIKey | CBVCZFGXHXORBI-PXQQMZJSSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | HIV protease inhibitor An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| indinavir (CHEBI:44032) has role HIV protease inhibitor (CHEBI:35660) |
| indinavir (CHEBI:44032) is a N-(2-hydroxyethyl)piperazine (CHEBI:46851) |
| indinavir (CHEBI:44032) is a dicarboxylic acid diamide (CHEBI:35779) |
| indinavir (CHEBI:44032) is a piperazinecarboxamide (CHEBI:46853) |
| Incoming Relation(s) |
| indinavir sulfate (CHEBI:5899) has functional parent indinavir (CHEBI:44032) |
| IUPAC Names |
|---|
| (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide |
| 2-benzyl-5-[(2S)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]-2,3,5-trideoxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-D-erythro-pentonamide |
| Synonyms | Source |
|---|---|
| Indinavir | KEGG COMPOUND |
| (1(1S,2R),5(S))-2,3,5-Trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-(3-pyridinylmethyl)-1-piperazinyl)-2-(phenylmethyl)-D-erythro-Pentonamide | ChemIDplus |