Compound Identification
SMILES
CC1=C(CN(CC2=CC=C(F)C=C2)C(=O)CN(CCN2CCCC2)C(=O)C2=CC=C(C=C2)[N+]([O-])=O)SC=C1
InChIKey
InChIKey=KCPURHPCFGBKGK-UHFFFAOYSA-N
Formula
C28H31FN4O4S
Mass
538.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Alpha amino acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes N-alkylpyrrolidines Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Thiophenes Trialkylamines Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Thiophene - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic salt - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Amine - Aromatic heteromonocyclic 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