Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)C1=C(NC(=O)OC(C)(C)C)C=CC(=C1)C(F)(F)F
InChIKey
InChIKey=JTTPVVOFRSIVBY-CVDCTZTESA-N
Formula
C29H36F3N3O6S
Mass
611.68
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
-
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylcarbamic acid esters Trifluoromethylbenzenes Tosyl compounds Benzenesulfonyl compounds Benzoyl derivatives Vinylogous amides Sulfones Carbamate esters Secondary carboxylic acid amides Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Phenylcarbamic acid ester - N-substituted-alpha-amino acid - Trifluoromethylbenzene - Tosyl compound - Alpha-amino acid or derivatives - Benzenesulfonyl group - Benzoyl - Toluene - Carbamic acid ester - Sulfonyl - Sulfone - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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