Structure Information
Structure

Compound Identification

SMILES

Cl.CCC[C@@H]1[C@@H]2[C@H](CCN2C(=O)CCN2CCC2)N(C1=O)S(C)(=O)=O

InChIKey

InChIKey=BOQABUOMDDOXAL-ZCGPAKHCSA-N

Formula

C16H28ClN3O4S

Mass

393.93

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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

Aliphatic heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - N-acylpyrrolidine - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Tertiary amine - Azetidine - Tertiary aliphatic amine - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Amine - Organic nitrogen compound - Hydrochloride - Carbonyl group - Aliphatic heteropolycyclic 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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