Compound Identification
SMILES
FC1=C(C=C(NC(=O)C2=CC=CC=C2)C(=O)NC2=CC=C(SCC(=O)NC3=CC4=C(OCCO4)C=C3)C=C2)C=C(Br)C=C1
InChIKey
InChIKey=JAAUPNYOCSERCA-UHFFFAOYSA-N
Formula
C32H25BrFN3O5S
Mass
662.53
Taxonomic Classification
Taxonomy Tree
-
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 Alpha amino acid amides Cinnamic acid amides Benzo-1,4-dioxanes Anilides Thiophenol ethers Benzoyl derivatives N-arylamides Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Fluorobenzenes Para dioxins Aryl bromides Aryl fluorides Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Organobromides Organofluorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid amide - Alpha-amino acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Anilide - Aryl thioether - Benzoyl - N-arylamide - Thiophenol ether - Fluorobenzene - Alkylarylthioether - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Aryl fluoride - Para-dioxin - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Organobromide - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic 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