Compound Identification
SMILES
COC1=CC(=CC(OC)=C1)C(=O)NC(C(C)C)C(=O)NC1=C(C(N)=O)C2=C(CCCC2)S1
InChIKey
InChIKey=WEARTKKWSRHXFH-UHFFFAOYSA-N
Formula
C23H29N3O5S
Mass
459.56
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
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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
Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Dimethoxybenzenes Thiophene carboxamides Phenoxy compounds Anisoles N-arylamides Benzoyl derivatives Alkyl aryl ethers Fatty amides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Valine or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Phenoxy compound - Phenol ether - Benzoyl - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Methoxybenzene - Anisole - Alkyl aryl ether - Fatty amide - Fatty acyl - Vinylogous amide - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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