Structure Information
Structure

Compound Identification

SMILES

CC1CC(C)(C)NC(=S)N1CC(=O)N1CCN(CC2=CC3=C(OCO3)C=C2)CC1

InChIKey

InChIKey=QJZNLHUURVXWEM-UHFFFAOYSA-N

Formula

C21H30N4O3S

Mass

418.56

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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 heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Benzodioxole - N-alkylpiperazine - Aralkylamine - 1,3-diazinane - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxamide group - Azacycle - Oxacycle - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic 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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