MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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imidapril

	Properties	Image
MNX_ID	MNXM1101225
reference	chebi:135654
formula	C₂₀H₂₇N₃O₆
global charge	0
mol weight	405.451
InChIKey	KLZWOWYOHUKJIG-BPUTZDHNSA-N
InChI	InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1
SMILES	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O

MNX internals

InChI (mnx)	InChI=1/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1
SMILES (mnx)	[CH3:1][CH2:4][O:29][C:19]([C@H:15]([CH2:11][CH2:10][C:14]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)[NH:21][C@@H:13]([CH3:2])[C:17]([N:23]1[C@H:16]([C:18](=[O:25])[OH:26])[CH2:12][N:22]([CH3:3])[C:20]1=[O:28])=[O:24])=[O:27]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9619019 reactomeM:R-ALL-9619019 CHEBI:135654 chebi:135654 KLZWOWYOHUKJIG-BPUTZDHNSA-N	imidapril (4S)-1-methyl-3-[(2S)-2-[N-((1S)-1-ethoxycarbonyl-3-phenylpropyl)amino]propionyl]-2-oxo-imidazolidine-4-carboxylic acid (4S)-3-{N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl}-1-methyl-2-oxoimidazolidine-4-carboxylic acid (S)-3-(N-((S)-1-Ethoxycarbonyl-3-phenylpropyl)-L-alanyl)-1-methyl-2-oxoimidazoline-4-carboxylic acid imidaprilum tanatril
kegg.drug:D08068 keggD:D08068 KLZWOWYOHUKJIG-BPUTZDHNSA-N	Imidapril (INN) Hipertene (TN)
hmdb:HMDB0041907 KLZWOWYOHUKJIG-BPUTZDHNSA-N	Imidapril (4S)-1-Methyl-3-[(2S)-2-[N-((1S)-1-ethoxycarbonyl-3-phenylpropyl)amino]propionyl]-2-oxo-imidazolidine-4-carboxylate (4S)-1-Methyl-3-[(2S)-2-[N-((1S)-1-ethoxycarbonyl-3-phenylpropyl)amino]propionyl]-2-oxo-imidazolidine-4-carboxylic acid (4S)-3-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid (S)-3-(N-((S)-1-Ethoxycarbonyl-3-phenylpropyl)-L-alanyl)-1-methyl-2-oxoimidazoline-4-carboxylate (S)-3-(N-((S)-1-Ethoxycarbonyl-3-phenylpropyl)-L-alanyl)-1-methyl-2-oxoimidazoline-4-carboxylic acid 1-Methyl-3-(2-(N-(1-ethoxycarbonyl-3-phenylpropyl)amino)propionyl)-2-oxoimidazolidine-4-carboxylic acid Hipertene Imidapril HCL Imidapril hydrochloride Imidaprilum Tanatril imidapril
hmdb:HMDB41907 keggD:M_D08068	secondary/obsolete/fantasy identifier