Compound Identification
SMILES
CC(C)(C)OC(=O)NCCC[C@H](NC(=O)C1=CC=C(CNC2=C(C3=C(NC(N)=NC3=O)C=C2)C(F)(F)F)C=C1)C(O)=O
InChIKey
InChIKey=BEKQCKBYMDGVNM-SFHVURJKSA-N
Formula
C27H31F3N6O6
Mass
592.576
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
-
Level 6
Hippuric acids and derivatives
- Level 7 Hippuric acids
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Level 6
Hippuric acids and derivatives
-
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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Quinazolinamines Benzoyl derivatives Benzylamines Phenylmethylamines Secondary alkylarylamines Aminopyrimidines and derivatives Pyrimidones Aralkylamines Vinylogous amides Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Alkyl fluorides Organofluorides Primary amines Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Quinazolinamine - Diazanaphthalene - Alpha-amino acid or derivatives - Quinazoline - Benzoyl - Benzylamine - Phenylmethylamine - Aminopyrimidine - Aralkylamine - Pyrimidone - Secondary aliphatic/aromatic amine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Carbamic acid ester - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available