Compound Identification
SMILES
CCC1=CC=C(CN2CCC(C2)NC(=O)CNC(=O)C2=C(NC(=O)NC(C)C)C=CC(=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=ZMXGTVIZOWONDD-UHFFFAOYSA-N
Formula
C27H34F3N5O3
Mass
533.596
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
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
-
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 Trifluoromethylbenzenes N-phenylureas Benzoyl derivatives Benzylamines Phenylmethylamines Aralkylamines N-alkylpyrrolidines Vinylogous amides Trialkylamines Ureas Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Trifluoromethylbenzene - Alpha-amino acid or derivatives - N-phenylurea - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpyrrolidine - Vinylogous amide - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Urea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Alkyl halide - Alkyl fluoride - Organohalogen compound - Carbonyl group - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen 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