Compound Identification
SMILES
NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCCCNC(=O)C3=CC=CC=C3C(O)=O)C(O)=O)N=C2C(N)=N1
InChIKey
InChIKey=LZWQNHLDOZAEHC-FQEVSTJZSA-N
Formula
C28H29N9O6
Mass
587.597
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
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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 Pteridines and derivatives Benzoic acids Aniline and substituted anilines Benzoyl derivatives Medium-chain fatty acids Phenylalkylamines Heterocyclic fatty acids Amino fatty acids Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Pyrazines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary amines
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 - Pteridine - Benzoic acid - Benzoyl - Phenylalkylamine - Medium-chain fatty acid - Aniline or substituted anilines - Aralkylamine - Heterocyclic fatty acid - Amino fatty acid - Aminopyrimidine - Secondary aliphatic/aromatic amine - Fatty acyl - Pyrimidine - Pyrazine - Fatty acid - Imidolactam - Heteroaromatic compound - Carboxamide group - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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