Compound Identification
SMILES
CCOC(=O)C(CCP(=O)(OCC)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC1=CN=C2N=C(N)N=C(N)C2=N1
InChIKey
InChIKey=KBLMREUHQIPPKS-UHFFFAOYSA-N
Formula
C25H35N8O6P
Mass
574.579
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
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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
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Pteridines and derivatives Aminobenzamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines Dialkyl alkylphosphonates Fatty acid esters Pyrazines Phosphonic acid esters Imidolactams Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organophosphorus compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Pteridine - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzoyl - Dialkyl alkylphosphonate - Aminopyrimidine - Fatty acid ester - Phosphonic acid diester - Aralkylamine - Phosphonic acid ester - Pyrimidine - Fatty acyl - Imidolactam - Pyrazine - Organophosphonic acid derivative - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available