Compound Identification
SMILES
NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)NC(CCCC(O)=O)C(O)=O)C=C2C(N)=N1
InChIKey
InChIKey=BMAOTIKJUUEVAV-UHFFFAOYSA-N
Formula
C21H23N7O5
Mass
453.459
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
N-acyl-alpha amino acids Aminobenzamides Pyrido[2,3-d]pyrimidines Aniline and substituted anilines Benzoyl derivatives Medium-chain fatty acids Phenylalkylamines Secondary alkylarylamines Aminopyrimidines and derivatives Heterocyclic fatty acids Amino fatty acids Pyridines and derivatives Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Primary amines Carbonyl compounds
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 - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Benzoyl - Medium-chain fatty acid - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - Amino fatty acid - Aminopyrimidine - Secondary aliphatic/aromatic amine - Heterocyclic fatty acid - Fatty acid - Imidolactam - Fatty acyl - Dicarboxylic acid or derivatives - Pyrimidine - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Primary amine - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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