Compound Identification
SMILES
CSC1=CC=C(C=C1)S(=O)(=O)C[C@@H]1CCOC[C@@H]1NC(=O)CNC(=O)C1=C(NC(=O)NC(C)C)C=CC(=C1)C(F)(F)F
InChIKey
InChIKey=NUMUVEQNPBQQMW-SBUREZEXSA-N
Formula
C27H33F3N4O6S2
Mass
630.7
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Trifluoromethylbenzenes N-phenylureas Benzenesulfonyl compounds Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Oxanes Vinylogous amides Sulfones Ureas Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - N-phenylurea - N-substituted-alpha-amino acid - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Benzenesulfonyl group - Benzoyl - Thiophenol ether - Aryl thioether - Alkylarylthioether - Oxane - Vinylogous amide - Sulfonyl - Sulfone - Urea - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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