Compound Identification
SMILES
COCCN(CC(=O)NC1=NC(CC(=O)N2CCN(CC2)C2=CC=CC=C2C)=CS1)C(=O)C1=CC=C(OC)C=C1
InChIKey
InChIKey=OSOIQCBCLKHVTR-UHFFFAOYSA-N
Formula
C29H35N5O5S
Mass
565.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
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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-arylpiperazines Phenylpiperazines Alpha amino acids and derivatives Aminotoluenes Aniline and substituted anilines Anisoles Benzoyl derivatives Dialkylarylamines Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers 2,4-disubstituted thiazoles Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - Tertiary aliphatic/aromatic amine - N-arylamide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Alkyl aryl ether - Toluene - 2,4-disubstituted 1,3-thiazole - 1,4-diazinane - Piperazine - Thiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organooxygen compound - 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