Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=CC(C=C2SC(=S)N(CC(=O)NCCC[NH+]3CCOCC3)C2=O)=C1

InChIKey

InChIKey=XKTAASHQHVEQLB-UHFFFAOYSA-O

Formula

C19H23BrN3O3S2

Mass

485.43

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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

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid or derivatives - Halobenzene - Bromobenzene - Oxazinane - Thiazolidinethione - Morpholine - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Thiazolidine - Quaternary ammonium salt - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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