Compound Identification
SMILES
CN(CC(O)=O)C(=O)CC[C@@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCC2(CCCC2)CC1
InChIKey
InChIKey=QFWDWGKMJFQQKU-LJQANCHMSA-N
Formula
C24H31Cl2N3O5
Mass
512.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
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
N-acyl-alpha amino acids Alpha amino acid amides 3-halobenzoic acids and derivatives Azaspirodecane derivatives N-acylpiperidines Dichlorobenzenes Benzoyl derivatives N-acyl amines Aryl chlorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Azaspirodecane - N-acyl-piperidine - 1,3-dichlorobenzene - Benzoyl - Chlorobenzene - Halobenzene - Piperidine - Aryl halide - Aryl chloride - N-acyl-amine - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic 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