Compound Identification
SMILES
CN(CC1=NC2=C(N)NN(N)N=C2N=C1)C1=CC=C(C=C1)C(=O)NC(CCP(O)(O)=O)C(O)=O
InChIKey
InChIKey=AZWNXPGKGHETES-UHFFFAOYSA-N
Formula
C18H24N9O6P
Mass
493.421
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 Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Aralkylamines Pyrazines 1,2,3-triazines Organic phosphonic acids Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organophosphorus compounds Monoalkylamines Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
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 - Tertiary aliphatic/aromatic amine - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - Triazine - Pyrazine - 1,2,3-triazine - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organophosphorus compound - Organooxygen compound - Organonitrogen 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