Compound Identification
SMILES
CCC\C=C\C1=CC(C)=C(NC(=O)NC2=C(C=CC(F)=C2)C(=O)N[C@@](C)(C2CCCCC2)C(O)=O)C(C)=C1
InChIKey
InChIKey=PWGMLCRXLMHOBF-GHGCAVAYSA-N
Formula
C30H38FN3O4
Mass
523.649
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 7 Hippuric acids
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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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids 4-halobenzoic acids and derivatives N-phenylureas m-Xylenes Styrenes Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous amides Ureas Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organofluorides Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid - Alpha-amino acid or derivatives - N-phenylurea - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - M-xylene - Xylene - Benzoyl - Styrene - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Vinylogous amide - Urea - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available