Structure Information
Structure

Compound Identification

SMILES

[H]C(C)(CC)C([H])(N(C)C)C(=O)N=C(O)C([H])(C(C)C)N(C)C([H])(C([H])(C)CC)C([H])(CC(=O)N1CCCC1([H])C([H])(OC)C([H])(C)C(O)=NC([H])(CC1=CC=CC=C1)C1=NC=CS1)OC

InChIKey

InChIKey=QUBPPXJLERPMJG-UHFFFAOYSA-N

Formula

C43H70N6O6S

Mass

799.13

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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

Isoleucine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Isoleucine or derivatives - Amphetamine or derivatives - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Thiazole - Carboxamide group - Tertiary amine - N-acylimine - Tertiary aliphatic amine - Carboximidic acid - Carboximidic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

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