Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)N(CC(=O)N(CC1=CC=CS1)CC1=CC2=C(OCO2)C=C1)C1CC1
InChIKey
InChIKey=PRBYNKKAFIOAHU-UHFFFAOYSA-N
Formula
C26H26N2O5S
Mass
478.56
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
Alpha amino acids and derivatives Benzodioxoles Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - Benzodioxole - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Acetal - Oxacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen 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