Compound Identification
SMILES
CN(CC(=O)NC1=CC(F)=CC=C1)C(=O)C1=CC(=CC=C1)S(=O)(=O)NC[C@@H]1CCCO1
InChIKey
InChIKey=KPJPWCIQPXQUQS-SFHVURJKSA-N
Formula
C21H24FN3O5S
Mass
449.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
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
Alpha amino acids and derivatives Benzenesulfonamides Anilides Benzenesulfonyl compounds N-arylamides Benzoyl derivatives Fluorobenzenes Organosulfonamides Aryl fluorides Tertiary carboxylic acid amides Oxolanes Aminosulfonyl compounds Tertiary amines Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - Benzenesulfonamide - Anilide - Benzenesulfonyl group - N-arylamide - Benzoyl - Fluorobenzene - Halobenzene - Organosulfonic acid amide - Aryl halide - Aryl fluoride - Oxolane - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Ether - Organosulfur compound - Organic nitrogen compound - Amine - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen 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