Compound Identification
SMILES
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)C(C#N)=C(C)N
InChIKey
InChIKey=HQDFMHIOAYIUAM-UHFFFAOYSA-N
Formula
C22H30N4O6S
Mass
478.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Alpha amino acid esters Valine and derivatives N-acyl-alpha amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Alpha-acyloxy ketones Fatty acid esters Organosulfonamides Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Aminosulfonyl compounds Acryloyl compounds Enones Secondary carboxylic acid amides Ketones Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Enamines Monoalkylamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Valine or derivatives - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzoyl - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Organosulfonic acid amide - Alpha-branched alpha,beta-unsaturated-ketone - Sulfonyl - Acryloyl-group - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Enone - Aminosulfonyl compound - Alpha,beta-unsaturated ketone - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ketone - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Enamine - Organonitrogen compound - Amine - Cyanide - Primary amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Primary aliphatic amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available