Compound Identification
SMILES
CN1C(CNC2=CC=C(C=C2)C(=O)NC(CCC(O)=N)C(O)=O)CN=C2NC(N)N=C(O)C12
InChIKey
InChIKey=LDOWWMMYXFEPRG-UHFFFAOYSA-N
Formula
C20H28N8O5
Mass
460.495
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 Pterins and derivatives Aminobenzamides Aniline and substituted anilines Phenylalkylamines Benzoyl derivatives Aminopyrimidines and derivatives Secondary alkylarylamines Hydropyrimidines Imidolactams Cyclic carboximidic acids Amino acids Trialkylamines Secondary carboxylic acid amides Orthocarboxylic acid derivatives Ortho amides Carboximidamides Carboxamidines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Pterin - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Pteridine - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Secondary aliphatic/aromatic amine - Aminopyrimidine - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Imidolactam - Cyclic carboximidic acid - Carboxamide group - Amino acid - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Orthocarboxylic acid derivative - Ortho amide - Amidine - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Carboximidic acid - Carboximidic acid derivative - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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