Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)NCC(C(=O)NCC#N)C1=CSC2=CC=CC=C12

InChIKey

InChIKey=URNJMMIQMYWMJJ-UHFFFAOYSA-N

Formula

C18H21N3O3S

Mass

359.44

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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 - Benzothiophene - 1-benzothiophene - Benzenoid - Thiophene - Heteroaromatic compound - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carbonitrile - Nitrile - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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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