Compound Identification
SMILES
CS(=O)(=O)C1=CC=CC=C1N1CCC(NC(=O)C2(CCCCC2)NC(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)C1
InChIKey
InChIKey=LDRAHBYWNYETGF-UHFFFAOYSA-N
Formula
C27H30F3N3O5S
Mass
565.61
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 Phenylpiperidines Trifluoromethylbenzenes Benzenesulfonyl compounds Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Piperidinones Sulfones Secondary carboxylic acid amides Cyclic ketones Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Phenylpiperidine - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzenesulfonyl group - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Piperidinone - Piperidine - Sulfone - Sulfonyl - Amino acid or derivatives - Secondary carboxylic acid amide - Cyclic ketone - Ketone - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen 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