Compound Identification
SMILES
COC(=O)[C@H](CCN)NC(=O)C1=C(C)C=C(C=C1C)C1=CC(NS(=O)(=O)C2=C(C)C=C(Cl)C(C)=C2)=CC=C1
InChIKey
InChIKey=NRVOGKIXBBQEHK-DEOSSOPVSA-N
Formula
C28H32ClN3O5S
Mass
558.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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
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Subclass
Benzoic acids and derivatives
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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 N-acyl-alpha amino acids and derivatives Biphenyls and derivatives Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds p-Xylenes m-Xylenes Benzoyl derivatives Chlorobenzenes Fatty acid esters Organosulfonamides Aryl chlorides Aminosulfonyl compounds Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Monoalkylamines Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Biphenyl - Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - P-xylene - M-xylene - Benzoyl - Xylene - Fatty acid ester - Halobenzene - Chlorobenzene - Organosulfonic acid amide - Aryl halide - Aryl chloride - Fatty acyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Methyl ester - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organosulfur compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen 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