Compound Identification
SMILES
CC1=NC(=O)C2=C(N1)C=CC(CN(CC#C)C1=CC=C(C=C1)C(=O)N[C@@H](CCCCCC(O)=O)C(O)=O)=C2
InChIKey
InChIKey=SFGQWIZDENYDFC-DEOSSOPVSA-N
Formula
C28H30N4O6
Mass
518.57
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 Aminobenzamides Quinazolines Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Medium-chain fatty acids Amino fatty acids Aralkylamines Pyrimidones Heterocyclic fatty acids Dicarboxylic acids and derivatives Heteroaromatic compounds Vinylogous amides Amino acids Secondary carboxylic acid amides Carboxylic acids Acetylides Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Quinazoline - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Medium-chain fatty acid - Tertiary aliphatic/aromatic amine - Amino fatty acid - Heterocyclic fatty acid - Aralkylamine - Pyrimidone - Dicarboxylic acid or derivatives - Fatty acyl - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Organoheterocyclic compound - Acetylide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Amine - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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