Compound Identification
SMILES
COC1=CC(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)NC2=CC=C(SCC(=O)NC3=C(Cl)C=C(Cl)C=C3)C=C2)=C(OC)C=C1
InChIKey
InChIKey=XJCOXTNLSMHIBC-QRQIAZFYSA-N
Formula
C32H27Cl2N3O5S
Mass
636.54
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 Dimethoxybenzenes Anilides Thiophenol ethers Phenoxy compounds N-arylamides Anisoles Dichlorobenzenes Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Secondary carboxylic acid amides Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Cinnamic acid amide - Cinnamic acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Dimethoxybenzene - P-dimethoxybenzene - Anilide - Phenol ether - Benzoyl - N-arylamide - Aryl thioether - Thiophenol ether - Phenoxy compound - 1,3-dichlorobenzene - Methoxybenzene - Anisole - Alkyl aryl ether - Halobenzene - Alkylarylthioether - Chlorobenzene - Aryl halide - Aryl chloride - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Organic oxide - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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