Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=CC=C(C=C1)[N+]([O-])=O)NC(=S)C1(CCCSC)CCC1

InChIKey

InChIKey=MTHQXQPPSPEWKQ-UHFFFAOYSA-N

Formula

C19H26N2O4S2

Mass

410.55

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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

Phenylalanine and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Thioamide - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Monocarboxylic acid or derivatives - Dialkylthioether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Thiocarboxylic acid amide - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Thiocarbonyl group - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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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