Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=DTWJXEDGRFCWAL-PZMDIYBFSA-N

Formula

C21H27IN4O5S2

Mass

604.49

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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

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