Compound Identification
SMILES
COC(=O)[C@H](CC1=CSC2=CC=CC=C12)NC(=O)C1=C(NS(=O)(=O)C2=CC=CC3=NC=CN=C23)C=C(Cl)C=C1
InChIKey
InChIKey=ZNDNKPRKDCBOGX-QFIPXVFZSA-N
Formula
C27H21ClN4O5S2
Mass
581.06
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
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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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives 4-halobenzoic acids and derivatives Sulfanilides Quinoxalines 1-benzothiophenes Benzoyl derivatives Chlorobenzenes Fatty acid esters Aryl chlorides Pyrazines Organosulfonamides Methyl esters Heteroaromatic compounds Thiophenes Vinylogous amides Aminosulfonyl compounds Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Quinoxaline - Sulfanilide - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzothiophene - 1-benzothiophene - Benzoyl - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Fatty acyl - Pyrazine - Organosulfonic acid amide - Aminosulfonyl compound - Methyl ester - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur 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