Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=CN=CN1)NS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChIKey

InChIKey=MUNWZRYISZWQNA-UHFFFAOYSA-N

Formula

C15H13F6N3O4S

Mass

445.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

Histidine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Histidine or derivatives - Alpha-amino acid ester - Trifluoromethylbenzene - Benzenesulfonamide - Benzenesulfonyl group - Imidazolyl carboxylic acid derivative - Fatty acid ester - Monocyclic benzene moiety - Organosulfonic acid amide - Fatty acyl - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Methyl ester - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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