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Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(NNC(=O)[C@@H](O)[C@H](N)CSCC2CCCCC2)C=C1

InChIKey

InChIKey=TUBBLFHRRXSTEO-SJORKVTESA-N

Formula

C18H29N3O2S

Mass

351.51

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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

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Phenylhydrazine - Toluene - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Secondary alcohol - Carboxylic acid hydrazide - Sulfenyl compound - Dialkylthioether - Thioether - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Primary amine - Carbonyl group - Organic nitrogen compound - Alcohol - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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