Compound Identification
SMILES
CN(CC1=CC=C(F)C=C1)C(=O)CNC(=O)C1=C(OCC(=O)NC2=C(C)C=C(Br)C=C2C)C=CC(F)=C1
InChIKey
InChIKey=KUEIJHYMBILRKZ-UHFFFAOYSA-N
Formula
C27H26BrF2N3O4
Mass
574.423
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides 3-halobenzoic acids and derivatives Anilides m-Xylenes Benzoyl derivatives N-arylamides Phenol ethers Phenoxy compounds Fluorobenzenes Bromobenzenes Alkyl aryl ethers Aryl fluorides Aryl bromides Tertiary carboxylic acid amides Secondary carboxylic acid amides Tertiary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Anilide - Phenoxy compound - Benzoyl - Phenol ether - M-xylene - Xylene - N-arylamide - Alkyl aryl ether - Bromobenzene - Halobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Ether - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - 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