Compound Identification
SMILES
O=C(CNC(=O)C1=CC=CC=C1)NC1=CC=C(C=C1)S(=O)(=O)N1CC(=O)NC(=O)C1
InChIKey
InChIKey=FTBCHWLVUCYLQI-UHFFFAOYSA-N
Formula
C19H18N4O6S
Mass
430.44
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 Benzenesulfonamides Anilides Benzenesulfonyl compounds Benzoyl derivatives Dioxopiperazines N-arylamides Organosulfonamides Dicarboximides Sulfonyls N-unsubstituted carboxylic acid imides Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Anilide - Benzoyl - Dioxopiperazine - N-arylamide - Organosulfonic acid amide - 1,4-diazinane - Piperazine - Carboxylic acid imide - Sulfonyl - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen 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