Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C1=CSC=C1NC(CC(C)C)C(=O)NCC#N

InChIKey

InChIKey=HZKWCOKXIWWAQU-UHFFFAOYSA-N

Formula

C20H25N3O3S

Mass

387.5

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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 - Alpha amino acids and derivatives

Direct Parent

Leucine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Leucine or derivatives - Alpha-amino acid amide - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Fatty acyl - Aminothiophene - Benzenoid - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Secondary amine - Ether - Carbonitrile - Nitrile - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Cyanide - Organooxygen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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