Compound Identification
SMILES
CN(CC(=O)NC(CCCN=C(N)N)B(O)O)C(=O)C1=CC(NC2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=BRFFDGWLLQBZQZ-UHFFFAOYSA-N
Formula
C21H29BN6O4
Mass
440.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- 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
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Alpha amino acids and derivatives Aminobenzamides Aniline and substituted anilines Benzoyl derivatives Primary aromatic amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Boronic acids Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Secondary amines Organic metalloid salts Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylboranes
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Primary aromatic amine - Tertiary carboxylic acid amide - Amino acid or derivatives - Boronic acid derivative - Boronic acid - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic metalloid salt - Secondary amine - Carboxylic acid derivative - Hydrocarbon derivative - Monoalkylborane - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkylborane - Organic oxide - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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