Structure Information
Structure

Compound Identification

SMILES

NC(=S)C1=CC=C(C=C1)C(=O)NCCC(=O)N1CCC(CC(O)=O)CC1

InChIKey

InChIKey=YIPCZVOTZUEMAS-UHFFFAOYSA-N

Formula

C18H23N3O4S

Mass

377.46

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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 heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Benzamide - N-acyl-piperidine - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Piperidine - Benzenoid - Thioamide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Thiocarboxylic acid amide - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Thiocarbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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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