Compound Identification
SMILES
COC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)C1=CC=C(C=C1)C(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=NQXQZARUDCKSHP-VWLOTQADSA-N
Formula
C29H30ClN3O8S
Mass
616.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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 N-acyl-alpha amino acids and derivatives Benzenesulfonamides Benzyloxycarbonyls Benzenesulfonyl compounds Benzoyl derivatives Chlorobenzenes Fatty acid esters Aryl chlorides Aminosulfonyl compounds Carbamate esters Organosulfonic acids and derivatives Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Benzenesulfonamide - Benzenesulfonyl group - Benzoyl - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Aryl halide - Fatty acyl - Carbamic acid ester - Aminosulfonyl compound - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - 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