Compound Identification
SMILES
O.O.O.O.[Na+].CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1C(=O)NCC([O-])=O
InChIKey
InChIKey=PLHREJBSQUSUCW-UHFFFAOYSA-M
Formula
C20H29N2NaO11S
Mass
528.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
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Level 6
Hippuric acids and derivatives
- Level 7 Hippuric acids
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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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Sulfanilides Phenol esters Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Organosulfonamides Dicarboxylic acids and derivatives Vinylogous amides Aminosulfonyl compounds Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acid salts Carboxylic acids Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Organic zwitterions Organic sodium salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Phenol ester - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Organosulfonic acid amide - Dicarboxylic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Secondary carboxylic acid amide - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organic salt - Organopnictogen compound - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available