Structure Information
Structure

Compound Identification

SMILES

CCN(CC)CCN(CC(=O)NC1=NC(C)=C(C)S1)C(=O)COC1=CC=C(Cl)C=C1

InChIKey

InChIKey=FBHHVKUWJVIGPX-UHFFFAOYSA-N

Formula

C21H29ClN4O3S

Mass

453.0

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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 - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiazole - Azole - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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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