Compound Identification
SMILES
FC1=CC=CC(=C1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
InChIKey
InChIKey=DKBRLNKILYNVNQ-GDAAHCPNSA-N
Formula
C21H24ClFN2O4
Mass
422.88
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
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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 and derivatives Alpha amino acid amides 3-halobenzoic acids and derivatives Benzoyl derivatives N-acylpyrrolidines Furopyrroles Fluorobenzenes Aryl fluorides Furanones Tertiary carboxylic acid amides Oxolanes Tertiary amines Secondary carboxylic acid amides Ketones Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organochlorides Organofluorides Organic oxides Alkyl chlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
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 - N-acylpyrrolidine - Furopyrrole - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - 3-furanone - Tertiary carboxylic acid amide - Pyrrolidine - Oxolane - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Ketone - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Azacycle - Ether - Organochloride - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl chloride - Amine - Organonitrogen compound - Organofluoride - 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