Compound Identification
SMILES
[NH4+].[NH4+].NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)NC(CCCNC(=O)C3=CC=CC=C3C([O-])=O)C([O-])=O)N=C2C(N)=N1
InChIKey
InChIKey=KKRDTTRDJCIIHV-UHFFFAOYSA-N
Formula
C27H33N11O6
Mass
607.632
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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 Phenylalkylamines Aminopyrimidines and derivatives Secondary alkylarylamines Pyrazines Imidolactams Quaternary ammonium salts Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Pteridine - Benzoic acid - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aminopyrimidine - Aralkylamine - Pyrazine - Pyrimidine - Imidolactam - Quaternary ammonium salt - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Secondary amine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - 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