Compound Identification
SMILES
COC1=CC=C(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)NC2=CC=C(SC(C(=O)NC3=CC(Cl)=C(C)C=C3)C3=CC=CC=C3)C=C2)C=C1
InChIKey
InChIKey=XNACBDLPTSFEHG-XSVYLIDLSA-N
Formula
C38H32ClN3O4S
Mass
662.2
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 Alpha amino acid amides Cinnamic acid amides Phenylacetamides Anilides Thiophenol ethers Anisoles Benzoyl derivatives Methoxybenzenes N-arylamides Phenoxy compounds Chlorobenzenes Toluenes Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Secondary carboxylic acid amides Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Alpha-amino acid amide - Cinnamic acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Anilide - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Phenol ether - Thiophenol ether - N-arylamide - Methoxybenzene - Halobenzene - Toluene - Chlorobenzene - Alkyl aryl ether - Alkylarylthioether - 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