Structure Information
Structure

Compound Identification

SMILES

O=C(CSC1=NC2NNCC2C(=O)N1C1=CC=CC2=CC=CC=C12)NCC1=CC=CC=C1

InChIKey

InChIKey=MNHTVESPMDHKFP-UHFFFAOYSA-N

Formula

C24H23N5O2S

Mass

445.54

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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 - Naphthalene - Pyrazolopyrimidine - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Benzenoid - Pyrazolidine - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Isothiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Alkylhydrazine - Azacycle - Organoheterocyclic compound - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrazine derivative - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - 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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