Compound Identification
SMILES
CCN(CC)C(=O)C(NC(=O)C1=CC=CC=C1)=C(SC1=NC2=CC=CC=C2O1)C1=CC=CC=C1
InChIKey
InChIKey=MDFBKRDLKMQFSA-UHFFFAOYSA-N
Formula
C27H25N3O3S
Mass
471.58
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Cinnamic acids and derivatives Benzoxazoles Aryl thioethers Benzoyl derivatives Vinylogous thioesters Heteroaromatic compounds Tertiary carboxylic acid amides Oxazoles Thioenol ethers Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Benzoxazole - Aryl thioether - Benzoyl - Vinylogous thioester - Azole - Heteroaromatic compound - Oxazole - Tertiary carboxylic acid amide - Carboxamide group - Thioenolether - Secondary carboxylic acid amide - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen 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