Compound Identification
SMILES
NC(N)=NCCC[C@H](NC(=O)C1=CC(O)=C(Br)C(OCCC2=C(Cl)C=C(Cl)C=C2)=C1)C(N)=O
InChIKey
InChIKey=KHQQGEXBJQNYNQ-HNNXBMFYSA-N
Formula
C21H24BrCl2N5O4
Mass
561.26
Taxonomic Classification
Taxonomy Tree
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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 4-halobenzoic acids and derivatives Phenoxy compounds Phenol ethers O-bromophenols Benzoyl derivatives Dichlorobenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Bromobenzenes Aryl bromides Aryl chlorides Fatty amides Secondary carboxylic acid amides Primary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - 2-halophenol - Phenoxy compound - Benzoyl - 2-bromophenol - 1,3-dichlorobenzene - Phenol ether - Halobenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Aryl bromide - Fatty acyl - Aryl chloride - Aryl halide - Fatty amide - Secondary carboxylic acid amide - Guanidine - Primary carboxylic acid amide - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Ether - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organobromide - Hydrocarbon derivative - Organohalogen 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