Compound Identification
SMILES
COC1=CC=CC=C1N1CCN(CC1)C(=O)CC1=CSC(NC(=O)CN(CC(C)C)C(=O)C2=CC=C(Cl)C=C2)=N1
InChIKey
InChIKey=MHKHBBFWIIKPCL-UHFFFAOYSA-N
Formula
C29H34ClN5O4S
Mass
584.13
Taxonomic Classification
Taxonomy Tree
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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
Phenylpiperazines N-arylpiperazines 4-halobenzoic acids and derivatives Alpha amino acids and derivatives Methoxyanilines Aminophenyl ethers Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Dialkylarylamines Benzoyl derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminophenyl ether - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Halobenzene - Chlorobenzene - Piperazine - Aryl halide - Aryl chloride - 1,4-diazinane - Thiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - 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