Compound Identification
SMILES
BrC1=CC(\C=N\NC(=O)C(\NC(=O)C2=CC=CC=C2)=C\C2=CC=CS2)=C(OC(=O)\C=C\C2=CC=CO2)C=C1
InChIKey
InChIKey=OQYBIALFVSJBLB-HDAFBSGPSA-N
Formula
C28H20BrN3O5S
Mass
590.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
-
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
N-acyl-alpha amino acids and derivatives Phenol esters Phenoxy compounds Benzoyl derivatives Bromobenzenes Fatty acid esters Aryl bromides Thiophenes Enoate esters Furans Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenol ester - Phenoxy compound - Benzoyl - Bromobenzene - Halobenzene - Fatty acid ester - Aryl bromide - Aryl halide - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Furan - Thiophene - Enoate ester - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic 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