Structure Information
Structure

Compound Identification

SMILES

CC1CN(CC(C)O1)C(=O)CCN(CC1=CC=CO1)C1=NC(CC2=CC=C(C)C=C2)=NS1

InChIKey

InChIKey=XMPMJQCETIBCMJ-UHFFFAOYSA-N

Formula

C24H30N4O3S

Mass

454.59

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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

Dialkylarylamines Toluenes Morpholines Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Furans Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Dialkylarylamine - Toluene - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Heteroaromatic compound - Thiadiazole - Tertiary carboxylic acid amide - Azole - Furan - Carboxamide group - Organoheterocyclic compound - Oxacycle - Azacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - 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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