Structure Information
Structure

Compound Identification

SMILES

[O-][N+]1=CC=C(C=C1)C1=CN=C(S1)C(=O)N1CCN(CC1CC(=O)N1CCCC1)S(=O)(=O)C1=CC2=C(N1)C=CC(Cl)=C2

InChIKey

InChIKey=JDONKZIHKIKOCA-UHFFFAOYSA-N

Formula

C27H27ClN6O5S2

Mass

615.12

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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 heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Indole or derivatives - Indole - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - N-acylpyrrolidine - 2-heteroaryl carboxamide - 2,5-disubstituted 1,3-thiazole - Organosulfonic acid amide - Pyridinium - Benzenoid - Piperazine - Pyridine - Substituted pyrrole - 1,4-diazinane - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic cation - Aromatic 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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