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captopril

PropertiesImage
MNX_IDMNXM1585497 Image of MNXM1585497
referencechebi:3380
formulaC9H15NO3S
global charge0
mol weight217.29
InChIKeyFAKRSMQSSFJEIM-RQJHMYQMSA-N
InChIInChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
SMILESC[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
MNX internals
InChI (mnx)InChI=1/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 Image of MNXM1585497
SMILES (mnx)[CH3:1][C@H:6]([CH2:5][SH:14])[C:8]([N:10]1[CH2:4][CH2:2][CH2:3][C@H:7]1[C:9](=[O:12])[OH:13])=[O:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9614832
CHEBI:3380
chebi:3380
FAKRSMQSSFJEIM-RQJHMYQMSA-N 		captopril
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline
Acepress
Apopril
CP
Capoten
Captolane
Captopryl
Captoril
Cesplon
D-2-methyl-3-mercaptopropanoyl-L-proline
D-3-mercapto-2-methylpropanoyl-L-proline
Dilabar
Garranil
Hypertil
L-Captopril
Lopirin
Tenosbon
Tensobon
Tensoprel
captoprilum

seed.compound:cpd26402
seedM:cpd26402
FAKRSMQSSFJEIM-RQJHMYQMSA-M 		(2S)-1-(3-Mercapto-2-methylpropionyl)-L-proline
(2S)-1-(3-mercapto-2-methylpropionyl)-L-proline
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
D-2-Methyl-3-mercaptopropanoyl-L-proline
D-2-methyl-3-mercaptopropanoyl-L-proline
D-3-Mercapto-2-methylpropionylproline
D-3-mercapto-2-methylpropionylproline
captopril

kegg.compound:C06867
keggC:C06867
vmhM:cptprl
vmhM:cptprl
vmhmetabolite:cptprl
vmhmetabolite:cptprl
FAKRSMQSSFJEIM-RQJHMYQMSA-M
FAKRSMQSSFJEIM-RQJHMYQMSA-N 		Captopril

kegg.drug:D00251
keggD:D00251
FAKRSMQSSFJEIM-RQJHMYQMSA-N 		Captopril (JP18/USP/INN)
Apopril (TN)
Capoten (TN)
hmdb:HMDB0015328
FAKRSMQSSFJEIM-RQJHMYQMSA-N 		Captopril
(2S)-1-[(2S)-2-Methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylate
(2S)-1-[(2S)-2-Methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
(2S)-1-[(2S)-2-Methyl-3-sulphanylpropanoyl]pyrrolidine-2-carboxylate
(2S)-1-[(2S)-2-Methyl-3-sulphanylpropanoyl]pyrrolidine-2-carboxylic acid
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
(S)-1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline
Acepress
Apopril
CP
Capoten
Captolane
Captoprilum
Captopryl
Captoril
Cesplon
D-2-Methyl-3-mercaptopropanoyl-L-proline
D-3-Mercapto-2-methylpropanoyl-L-proline
Dilabar
Garranil
Hypertil
L-Captopril
Lopirin
Tenosbon
Tensobon
Tensoprel
captopril

CHEBI:746988
chebi:746988
FAKRSMQSSFJEIM-RQJHMYQMSA-M 		captopril(1-)
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylate
captopril

metacyc.compound:CPD0-2067
metacycM:CPD0-2067
FAKRSMQSSFJEIM-RQJHMYQMSA-N 		captopril
(2S)-1-(2-methyl-3-sulfanylpropanoyl)-L-proline
(2S)-1-(3-mercapto-2-methylpropionyl)-L-proline
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
D-2-methyl-3-mercaptopropanoyl-L-proline
D-3-mercapto-2-methylpropionylproline

hmdb:HMDB15328
keggC:M_C06867
keggD:M_D00251
seedM:M_cpd26402
vmhM:M_cptprl 		secondary/obsolete/fantasy identifier