Structure Information
Structure

Compound Identification

SMILES

N[C@@H](CS)C(=O)SC1CC(=O)N(COC(=O)CNC(=O)C2=CC([125I])=CC=C2)C1=O

InChIKey

InChIKey=WJLCKNZHDFDPMU-UFBHKYSUSA-N

Formula

C17H18IN3O6S2

Mass

549.37

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Cysteine or derivatives - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Iodobenzene - N-alkylpyrrolidine - Aryl iodide - Aryl halide - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide - Pyrrolidine - Dicarboximide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Carbothioic s-ester - Thiocarboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Alkylthiol - Monocarboxylic acid or derivatives - Thiocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organoiodide - Primary aliphatic amine - Organohalogen compound - Organopnictogen 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

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