Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)NN=CC1=CC=C(OC(=O)C2=C(Cl)C3=CC=CC=C3S2)C=C1
InChIKey
InChIKey=MREYWOHZADBWDC-UHFFFAOYSA-N
Formula
C26H20ClN3O5S
Mass
521.97
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 Phenol esters 1-benzothiophenes Anisoles Benzoyl derivatives Methoxybenzenes Thiophene carboxylic acids and derivatives Phenoxy compounds Alkyl aryl ethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phenol ester - 1-benzothiophene - Benzothiophene - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Thiophene carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen 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