Compound Identification
SMILES
CC1=CC=C(CN(CC2=CC=C(F)C=C2)C(=O)CN(CCN2CCOCC2)C(=O)C2=CC=CC=C2F)S1
InChIKey
InChIKey=JATKVJAOFKDPOW-UHFFFAOYSA-N
Formula
C28H31F2N3O3S
Mass
527.63
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 Alpha amino acids and derivatives Benzoyl derivatives 2,5-disubstituted thiophenes Fluorobenzenes Morpholines Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organofluorides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - 2,5-disubstituted thiophene - Morpholine - Aryl fluoride - Aryl halide - Oxazinane - Heteroaromatic compound - Vinylogous halide - Tertiary carboxylic acid amide - Thiophene - Tertiary amine - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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