Compound Identification
SMILES
CC1=CC=C(CN(CC2=CC=C(F)C=C2)C(=O)CN(CCN2CCCCC2)C(=O)C2=C(Cl)C=C(Cl)C=C2)S1
InChIKey
InChIKey=ZTYKISDEKXNCLV-UHFFFAOYSA-N
Formula
C29H32Cl2FN3O2S
Mass
576.55
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
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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
2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Alpha amino acids and derivatives Benzoyl derivatives Dichlorobenzenes 2,5-disubstituted thiophenes Fluorobenzenes Piperidines Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Vinylogous halides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organochlorides Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,3-dichlorobenzene - Benzoyl - 2,5-disubstituted thiophene - Fluorobenzene - Chlorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Piperidine - Vinylogous halide - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Organofluoride - 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