Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N([C@@H](CSC(=O)C1=NC=CN1C)[C@@H](O)[C@H](O)[C@@H](N)CSC(=O)C1=NC=CN1C)C(=O)[C@@H](NC(=O)OCC1=CC=CC=C1)C(C)C

InChIKey

InChIKey=KMGFUPONZVAGJO-UWPASDSESA-N

Formula

C42H54N8O10S2

Mass

895.06

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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 - Alpha-amino acid amide - Benzyloxycarbonyl - Monocyclic benzene moiety - N-acyl-amine - Carboxylic acid imide, n-substituted - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Carboxylic acid imide - Carbamic acid ester - Dicarboximide - Imidazole - 1,3-aminoalcohol - Carbothioic s-ester - 1,2-aminoalcohol - Thiocarboxylic acid ester - 1,2-diol - Tertiary amine - Secondary alcohol - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thiocarboxylic acid or derivatives - Amine - Organic oxide - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - 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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