Compound Identification
SMILES
CC(SC1=CC=CC(NC(=O)C(\NC(=O)C2=CC=CC=C2)=C\C2=CC=C(Br)C=C2)=C1)C(=O)NC1=C(C#N)C2=C(CC(CC2)C2=CC=CC=C2)S1
InChIKey
InChIKey=WKNPSJSMXZVICM-IPHFVPNQSA-N
Formula
C40H33BrN4O3S2
Mass
761.75
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
-
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 Anilides Thiophenol ethers N-arylamides Benzoyl derivatives Alkylarylthioethers Bromobenzenes Aryl bromides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Cinnamic acid amide - Alpha-amino acid or derivatives - Anilide - Aryl thioether - Benzoyl - Thiophenol ether - N-arylamide - Halobenzene - Bromobenzene - Alkylarylthioether - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Carbonitrile - Nitrile - Organosulfur compound - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organic oxide - Hydrocarbon derivative - 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