Compound Identification
SMILES
CCOC(=O)CNS(=O)(=O)CC(NC(=O)C1=CC=C(NCC2=CN=C3N=C(N)N=C(N)C3=N2)C=C1)C(=O)OCC
InChIKey
InChIKey=YCXGWTKWDAXWOQ-UHFFFAOYSA-N
Formula
C23H29N9O7S
Mass
575.6
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
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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
N-acyl-alpha amino acids and derivatives Alpha amino acid esters Aminobenzamides Pteridines and derivatives Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines Aminopyrimidines and derivatives Organosulfonamides Organic sulfonamides Imidolactams Dicarboxylic acids and derivatives Pyrazines Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides 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 - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aminopyrimidine - Aralkylamine - Imidolactam - Pyrimidine - Organosulfonic acid amide - Organic sulfonic acid amide - Dicarboxylic acid or derivatives - Pyrazine - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organic oxide - 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