Compound Identification
SMILES
CC1=NC(=O)C2=C(N1)C=CC(CN(CC#C)C1=CC=C(C=C1)C(=O)N[C@@H](C(O)=O)C(C)(C)C)=C2
InChIKey
InChIKey=UFOIJGKLFSBQOT-QFIPXVFZSA-N
Formula
C26H28N4O4
Mass
460.534
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
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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
Valine and derivatives N-acyl-alpha amino acids Aminobenzamides Quinazolines Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Pyrimidones Aralkylamines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Acetylides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Valine or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Quinazoline - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid - Amino acid or derivatives - Acetylide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - 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