Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)N(CC(=O)N(CC1=CC=CS1)CC1=CC2=C(OCO2)C=C1)C1CC1
InChIKey
InChIKey=HFLVPPZATCKILW-UHFFFAOYSA-N
Formula
C25H23BrN2O4S
Mass
527.43
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
4-halobenzoic acids and derivatives Alpha amino acids and derivatives Benzodioxoles Benzoyl derivatives Bromobenzenes Aryl bromides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Acetals Carbonyl compounds Organobromides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzodioxole - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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