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· · COA & SDS available for every product · Same-day shipping on in-stock items Libenzapril , CAS No.109214-55-3
Synonyms
LIBENZAPRIL | Abutapril | CGS 16617 | CGS-16617 | QD8496WWYK | 1H-1-Benzazepine-1-acetic acid, 3-((5-amino-1-carboxypentyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (S-(R*,R*)) | N-((3S)-1-(Carboxymethyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-L-lysine |
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
LIBENZAPRIL | Abutapril | CGS 16617 | CGS-16617 | QD8496WWYK | 1H-1-Benzazepine-1-acetic acid, 3-((5-amino-1-carboxypentyl)amino)-2, 3, 4, 5-tetrahydro-2-oxo-, (S-(R*, R*)) | N-((3S)-1-(Carboxymethyl)-2, 3, 4, 5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-L-lysine |
Product Properties Names and Identifiers Canonical Smiles C1CC2=CC=CC=C2N(C(=O)C1NC(CCCCN)C(=O)O)CC(=O)O IUPAC Name (2S)-6-amino-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid InChIKey AXTCRUUITQKBAV-KBPBESRZSA-N INCHI 1S/C18H25N3O5/c19-10-4-3-6-14(18(25)26)20-13-9-8-12-5-1-2-7-15(12)21(17(13)24)11-16(22)23/h1-2,5,7,13-14,20H,3-4,6,8-11,19H2,(H,22,23)(H,25,26)/t13-,14-/m0/s1 Isomeric SMILES C1CC2=CC=CC=C2N(C(=O)[C@H]1N[C@@H](CCCCN)C(=O)O)CC(=O)O PubChem CID 71320 Molecular Weight 363.4
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Peptides Direct Parent Dipeptides Alternative Parents Benzazepines L-alpha-amino acids Medium-chain fatty acids Amino fatty acids Aralkylamines Azepines Heterocyclic fatty acids Dicarboxylic acids and derivatives Benzenoids Tertiary carboxylic acid amides Amino acids Lactams Azacyclic compounds Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Monoalkylamines Organopnictogen compounds Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Alpha-dipeptide - Benzazepine - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Medium-chain fatty acid - Heterocyclic fatty acid - Amino fatty acid - Azepine - Aralkylamine - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Fatty acid - Tertiary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Organopnictogen compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Primary aliphatic amine - Organonitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 363.400 g/mol XLogP3 -3.900 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 9 Exact Mass 363.179 Da Monoisotopic Mass 363.179 Da Topological Polar Surface Area 133.000 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 513.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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