Compound Identification
SMILES
COC1=CC=CC=C1C(=O)N(CCN1CCCC1)CC(=O)N(CC1=CC=CS1)CC1=CC=C(F)C=C1
InChIKey
InChIKey=YTEXBWHVZCBKTH-UHFFFAOYSA-N
Formula
C28H32FN3O3S
Mass
509.64
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
-
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 Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes N-alkylpyrrolidines Aryl fluorides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - N-alkylpyrrolidine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Pyrrolidine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Tertiary amine - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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