Compound Identification
SMILES
CC1=C(N)C=C(CN2CCC(C2)NC(=O)CNC(=O)C2=C(NC(=O)OC(C)(C)C)C=CC(=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=CAAACCNLBOEEQH-UHFFFAOYSA-N
Formula
C27H34F3N5O4
Mass
549.595
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
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 Phenylcarbamic acid esters Trifluoromethylbenzenes Phenylmethylamines Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Benzylamines Aralkylamines N-alkylpyrrolidines Vinylogous amides Carbamate esters Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides Primary amines
Molecular Framework
Aromatic heteromonocyclic 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 - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzoyl - Aminotoluene - Aniline or substituted anilines - Phenylmethylamine - Benzylamine - Aralkylamine - Toluene - N-alkylpyrrolidine - Vinylogous amide - Pyrrolidine - Carbamic acid ester - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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