Structure Information
Structure

Compound Identification

SMILES

COCC1=NC(CN2CCN([C@H](C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](O)CN(CC(C)C)S(=O)(=O)C3=CC=C(\C=N/O)C=C3)C(C)(C)C)C2=O)=CS1

InChIKey

InChIKey=KSABWPFNKQZOGO-WBRFXPKXSA-N

Formula

C36H50N6O7S2

Mass

742.95

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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 - Phenylbutylamine - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - 2,4-disubstituted 1,3-thiazole - Fatty amide - Organosulfonic acid amide - Imidazolidinone - Benzenoid - N-acyl-amine - Fatty acyl - Monocyclic benzene moiety - Thiazole - Imidazolidine - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azole - Sulfonyl - Heteroaromatic compound - Aldoxime - Secondary alcohol - Secondary carboxylic acid amide - Urea - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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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