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Captopril
SpectraBase Compound ID AHZ2X59d7Ve
InChI InChI=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
InChIKey FAKRSMQSSFJEIM-RQJHMYQMSA-N
Mol Weight 217.28 g/mol
Molecular Formula C9H15NO3S
Exact Mass 217.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeHRZTfdy5K
Name (S)-1-(3-mercapto-2-methyl-1-oxopropyl)-L-proline
Alternate Name(s) Captopril ((S)-3-mercapto-2-methylpropanoyl)-L-proline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO3S
InChI InChI=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
InChIKey FAKRSMQSSFJEIM-RQJHMYQMSA-N
Literature Reference DOI 10.1002/rcm.3639
Molecular Weight 217.283 g/mol
SMILES OC([C@@]1(CCCN1C([C@@](CS)(C)[H])=O)[H])=O
SPLASH splash10-00di-9500000000-e31a6186afbd5ab1ecb6
Source of Spectrum RCM-22-SM2-FigureS1
Wiley ID 1814472