loading...| Preferred Name |
indinavir |
|
| Synonyms |
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 (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 Indinavir (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 |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_44032 |
|
| charge |
0 |
|
| chemical inhibits in vitro replication of virus | ||
| chemical inhibits protein | ||
| database_cross_reference |
KEGG:C07051 LINCS:LSM-5471 Wikipedia:Indinavir DrugBank:DB00224 CAS:150378-17-9 Drug_Central:1437 |
|
| definition source |
https://www.drugbank.ca/drugs/DB00224 PMID: 15144898 |
|
| formula |
C36H47N5O4 |
|
| has exact synonym |
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 (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 Indinavir |
|
| has role | ||
| has_alternative_id |
CHEBI:44029 CHEBI:5898 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(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 |
|
| id |
CHEBI:44032 |
|
| imported from | ||
| in subset | ||
| 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 |
|
| label |
indinavir |
|
| mass |
613.78968 |
|
| monoisotopicmass |
613.36281 |
|
| notation |
CHEBI:44032 |
|
| prefLabel |
indinavir |
|
| smiles |
CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1cccnc1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35779 |
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