Structure Information
Structure

Compound Identification

SMILES

COC(=O)NC(C(C)C)C(=O)NN(CC(O)C(CC1=CC=CC=C1)NC(=O)C(N1CCN(CC2=CSC(C)=N2)C1=O)C(C)(C)C)CC1=CC=C(C=C1)C1=CC=CC=N1

InChIKey

InChIKey=OCDBQXOKDXPYQI-UHFFFAOYSA-N

Formula

C43H56N8O6S

Mass

813.03

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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

Valine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Valine or derivatives - 2-phenylpyridine - Phenylbutylamine - Amphetamine or derivatives - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Fatty amide - Imidazolidinone - N-acyl-amine - Pyridine - Benzenoid - Fatty acyl - Thiazole - Azole - Heteroaromatic compound - Methylcarbamate - Carbamic acid ester - Imidazolidine - Urea - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine 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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