Compound Identification
SMILES
COCCN(CC(=O)NC1=NC(CC(=O)NCC2=CC=C(F)C=C2)=CS1)C(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=UGZGQTRDTBZHOL-UHFFFAOYSA-N
Formula
C25H27FN4O4S
Mass
498.57
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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,N-dialkyl-p-toluamides Alpha amino acids and derivatives Benzoyl derivatives N-arylamides 2,4-disubstituted thiazoles Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N,n-dialkyl-p-toluamide - Alpha-amino acid or derivatives - Toluamide - P-toluamide - N-arylamide - Benzoyl - Halobenzene - 2,4-disubstituted 1,3-thiazole - Toluene - Fluorobenzene - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azole - Thiazole - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic 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