Compound Identification
SMILES
CC1=CC(Cl)=CC(C)=C1C(=O)NC(CC1CCN(CC1)C(=O)CC1=NC2=C(CCCN2)C=C1)C(O)=O
InChIKey
InChIKey=WYOYAMYAPAAHJL-UHFFFAOYSA-N
Formula
C27H33ClN4O4
Mass
513.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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 4-halobenzoic acids and derivatives Naphthyridines N-acylpiperidines m-Xylenes Benzoyl derivatives Chlorobenzenes Pyridines and derivatives Aryl chlorides Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Amines Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Diazanaphthalene - Alpha-amino acid or derivatives - Naphthyridine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - N-acyl-piperidine - M-xylene - Xylene - Benzoyl - Halobenzene - Chlorobenzene - Pyridine - Piperidine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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