Compound Identification
SMILES
NCCCC(NC(=O)C1=CC=C(SCC2=CC3=C(NC(N)=NC3=O)C=C2)C=C1)C(O)=O
InChIKey
InChIKey=TWMPDTBJNMXLSH-UHFFFAOYSA-N
Formula
C21H23N5O4S
Mass
441.51
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 7 Hippuric acids
-
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 Quinazolinamines P-sulfanylbenzoic acids and derivatives Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Pyrimidones Aminopyrimidines and derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Carbonyl compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Quinazolinamine - Diazanaphthalene - Alpha-amino acid or derivatives - P-sulfanylbenzoic acid or derivatives - Quinazoline - Aryl thioether - Benzoyl - Thiophenol ether - Aminopyrimidine - Pyrimidone - Alkylarylthioether - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Thioether - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Primary amine - Amine - 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