Compound Identification
SMILES
CNC1=C(C=C(OC(F)(F)F)C=C1)C(=O)NCC(=O)N[C@H]1C[C@@H](CC[C@H]1CS(=O)(=O)C1=CC=C(SC)C=C1)N(C)C
InChIKey
InChIKey=SBESLHWBNLDWTH-RHGYRFJNSA-N
Formula
C27H35F3N4O5S2
Mass
616.72
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 Alpha amino acid amides 2-aminobenzamides Anthranilamides Benzenesulfonyl compounds Thiophenol ethers Aniline and substituted anilines Phenylalkylamines Phenoxy compounds Phenol ethers Benzoyl derivatives Alkylarylthioethers Secondary alkylarylamines Cyclohexylamines Vinylogous amides Sulfones Trihalomethanes Trialkylamines Secondary carboxylic acid amides Sulfenyl compounds Organofluorides Alkyl fluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Anthranilamide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 2-aminobenzamide - Aminobenzamide - Aminobenzoic acid or derivatives - Benzenesulfonyl group - Phenylalkylamine - Aniline or substituted anilines - Thiophenol ether - Aryl thioether - Phenoxy compound - Phenol ether - Benzoyl - Secondary aliphatic/aromatic amine - Alkylarylthioether - Cyclohexylamine - Vinylogous amide - Sulfonyl - Sulfone - Amino acid or derivatives - Trihalomethane - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary amine - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organofluoride - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Halomethane - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Amine - Aromatic homomonocyclic 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