Compound Identification
SMILES
CC(C)[C@@H](NC(=O)C1=CC=C(C=C1)N(CC#C)CC1=CC2=C(NC(C)=NC2=O)C=C1)C(O)=O
InChIKey
InChIKey=AXUMAJPONGIXCH-JOCHJYFZSA-N
Formula
C25H26N4O4
Mass
446.507
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
Valine and derivatives N-acyl-alpha amino acids Quinazolines Aminobenzamides Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Pyrimidones Aralkylamines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Acetylides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Valine or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Diazanaphthalene - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Quinazoline - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - Pyrimidone - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Amino acid - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Acetylide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - 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