Compound Identification
SMILES
CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)C1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=KWAXBPZYRPIOSA-ZKMPZPQNSA-N
Formula
C28H34FN3O6S
Mass
559.65
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 Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Fluorobenzenes Aryl fluorides Organosulfonamides Fatty amides Furanones Aminosulfonyl compounds Oxolanes Secondary carboxylic acid amides Cyclic ketones Dialkyl ethers Oxacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Fatty acyl - 3-furanone - Fatty amide - Organosulfonic acid amide - Aminosulfonyl compound - Oxolane - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Cyclic ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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