Compound Identification
SMILES
CC1=NC(=O)C2=CC(CN(CC#C)C3=CC(F)=C(C=C3)C(=O)NC(CCCS(N)(=O)=O)C(O)=O)=C(C)C=C2N1
InChIKey
InChIKey=XYSCZAOMAZKZEU-UHFFFAOYSA-N
Formula
C26H28FN5O6S
Mass
557.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
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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 2-halobenzoic acids and derivatives Aminobenzamides Quinazolines Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Pyrimidones Aralkylamines Fluorobenzenes Organosulfonamides Aryl fluorides Organic sulfonamides Vinylogous halides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Acetylides Carbonyl compounds Organic oxides Organofluorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Hippuric acid - N-acyl-alpha amino acid or derivatives - Aminobenzoic acid or derivatives - Quinazoline - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Aminobenzamide - Alpha-amino acid or derivatives - Diazanaphthalene - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyrimidone - Fluorobenzene - Halobenzene - Aralkylamine - Pyrimidine - Aryl fluoride - Aryl halide - Organic sulfonic acid amide - Organosulfonic acid amide - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Sulfonyl - Vinylogous amide - Vinylogous halide - Aminosulfonyl compound - Amino acid or derivatives - Amino acid - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Acetylide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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