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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | enalapril | |
| Synonyms |
(S)-1-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-L-proline 1-(N-((S)-1-carboxy-3-phenylpropyl)-L-alanyl)-L-proline 1'-ethyl ester (S)-1-{(S)-2-[1-((S)-Ethoxycarbonyl)-3-phenyl-propylamino]-propionyl}-pyrrolidine-2-carboxylic acid enalaprila enalaprilum analapril enalapril Enalapril N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl-L-proline ENALAPRIL |
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| Definitions |
A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration). |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_4784 |
|
| charge |
0
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| database_cross_reference |
CAS:75847-73-3 PMID:34101308 LINCS:LSM-3282 PMID:11523315 PMID:19019755 PMID:33643971 PMID:33963573 PMID:34412508 PMID:34440064 PMID:33881639 Wikipedia:Enalapril KEGG:C06977 PMID:23413003 KEGG:D07892 MetaCyc:CPD0-2065 PMID:23030053 PMID:19549507 PMID:10669559 Chemspider:4534998 Drug_Central:1005 Beilstein:3657467 HMDB:HMDB0014722 Patent:EP12401 PMID:12725609 Patent:US4374829 PMID:34020248 DrugBank:DB00584 PMID:32835726 PMID:34533783
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|
| definition |
A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration).
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|
| formula |
C20H28N2O5
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| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_176497 http://purl.obolibrary.org/obo/CHEBI_35674 |
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| has_alternative_id |
CHEBI:116847
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|
| has_exact_synonym |
Enalapril N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl-L-proline ENALAPRIL
|
|
| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
(S)-1-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-L-proline 1-(N-((S)-1-carboxy-3-phenylpropyl)-L-alanyl)-L-proline 1'-ethyl ester (S)-1-{(S)-2-[1-((S)-Ethoxycarbonyl)-3-phenyl-propylamino]-propionyl}-pyrrolidine-2-carboxylic acid enalaprila enalaprilum analapril enalapril
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|
| id |
CHEBI:4784
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| in_subset | ||
| inchi |
InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
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|
| inchikey |
GBXSMTUPTTWBMN-XIRDDKMYSA-N
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|
| label |
enalapril
|
|
| mass |
376.44670
|
|
| monoisotopicmass |
376.19982
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|
| notation |
CHEBI:4784
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|
| prefLabel |
enalapril
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|
| smiles |
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O
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| treeView | ||
| subClassOf |
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