Compound Identification
SMILES
FC(F)(F)C1=CC=CC(=C1)C(=O)NCC(=O)N[C@H]1CN(C[C@@H]1OCC1=CC=CC=N1)C1CCCCC1
InChIKey
InChIKey=BUPXXNZCSAFGJW-GOTSBHOMSA-N
Formula
C26H31F3N4O3
Mass
504.554
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
-
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 Benzoyl derivatives Cyclohexylamines Pyridines and derivatives N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
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 - Benzoyl - Cyclohexylamine - N-alkylpyrrolidine - Pyridine - Heteroaromatic compound - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxide - Organic nitrogen compound - Organohalogen compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Alkyl fluoride - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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