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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | spirapril | |
| Synonyms |
(8S)-7-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_135756 |
|
| alternative term |
(8S)-7-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
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| bearer of | ||
| charge |
0
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|
| database_cross_reference |
Drug_Central:2474 CAS:83647-97-6 KEGG:D08529 PMID:10499560 PMID:10499561 PMID:8638865 HMDB:HMDB0015438 Reaxys:4277924 Wikipedia:Spirapril DrugBank:DB01348 PMID:12613273 PMID:9345854
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|
| formula |
C22H30N2O5S2
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| has_exact_synonym |
(8S)-7-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
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|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology
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|
| id |
CHEBI:135756
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|
| in_subset | ||
| inchi |
InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1
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|
| inchikey |
HRWCVUIFMSZDJS-SZMVWBNQSA-N
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|
| label |
spirapril
|
|
| mass |
466.617
|
|
| monoisotopicmass |
466.15961
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|
| notation |
CHEBI:135756
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|
| prefLabel |
spirapril
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|
| RO_0000087 | ||
| smiles |
C([C@@H](N[C@@H](CCC1=CC=CC=C1)C(OCC)=O)C)(=O)N2CC3(C[C@H]2C(=O)O)SCCS3
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|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_46767 http://purl.obolibrary.org/obo/CHEBI_140326 http://purl.obolibrary.org/obo/CHEBI_46761 http://purl.obolibrary.org/obo/CHEBI_35624 http://purl.obolibrary.org/obo/CHEBI_36244 |
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