Compound Identification
SMILES
CC1=NC(=O)C2=CC(CN(CC#C)C3=CC(F)=C(C=C3)C(=O)NC(CCCCS(=O)C3=NNN=N3)C(O)=O)=C(C)C=C2N1
InChIKey
InChIKey=LUEVROSCLILPJS-UHFFFAOYSA-N
Formula
C28H29FN8O5S
Mass
608.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
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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 - 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 Medium-chain fatty acids Pyrimidones Aralkylamines Fluorobenzenes Halogenated fatty acids Thia fatty acids Heterocyclic fatty acids Aryl fluorides Vinylogous amides Heteroaromatic compounds Tetrazoles Vinylogous halides Secondary carboxylic acid amides Amino acids Sulfoxides Sulfinyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Acetylides Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Diazanaphthalene - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Quinazoline - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Medium-chain fatty acid - Dialkylarylamine - Fluorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Pyrimidone - Thia fatty acid - Aralkylamine - Aryl halide - Fatty acyl - Aryl fluoride - Pyrimidine - Azole - Tetrazole - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Amino acid - Carboxamide group - Sulfoxide - Amino acid or derivatives - Secondary carboxylic acid amide - Sulfinyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Acetylide - Organopnictogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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