Compound Identification
SMILES
CC1=NC(=O)C2=CC(CN(CC#C)C3=CC(F)=C(C=C3)C(=O)NC(CCCC3=NNN=N3)C(O)=O)=C(C)C=C2N1
InChIKey
InChIKey=HHKITHPZADYETO-UHFFFAOYSA-N
Formula
C27H27FN8O4
Mass
546.563
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 Aminobenzamides 2-halobenzoic acids and derivatives Quinazolines Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Medium-chain fatty acids Pyrimidones Aralkylamines Heterocyclic fatty acids Halogenated fatty acids Fluorobenzenes Aryl fluorides Vinylogous halides Heteroaromatic compounds Tetrazoles Vinylogous amides Amino acids Secondary carboxylic acid amides Acetylides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organofluorides Organic oxides 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 - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Quinazoline - Benzoyl - Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Aniline or substituted anilines - Dialkylarylamine - Pyrimidone - Aralkylamine - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Fatty acyl - Pyrimidine - Vinylogous amide - Tetrazole - Vinylogous halide - Azole - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Acetylide - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Amine - Organic nitrogen compound - Organopnictogen 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