Structure Information
Structure

Compound Identification

SMILES

O=C(CCN(C1CC1)C(=O)C1=NC(=CC=C1)N1C=CC=C1)NNC(=O)C1=CSC(=N1)N(CC1CC1)C1CC1

InChIKey

InChIKey=CWIUFMVCRKWRHK-UHFFFAOYSA-N

Formula

C27H31N7O3S

Mass

533.65

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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 - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Pyridine - Substituted pyrrole - 1,3-thiazol-2-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Thiazole - Azole - Carboxamide group - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen 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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