Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(N)C(=O)OCCOCC(=O)OCOC1=C(C=CC(F)=C1[C@H]1C[C@H]1NC(=O)NC1=NC=C(C=C1)C#N)C(=O)CC

InChIKey

InChIKey=MOBIJPFXSKLVKC-ZXCYUSBKSA-N

Formula

C30H36FN5O8

Mass

613.643

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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 - Alpha-amino acid ester - Alkyl-phenylketone - Phenylketone - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - 3-pyridinecarbonitrile - Aryl alkyl ketone - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Fatty acyl - Imidolactam - Heteroaromatic compound - Urea - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Azacycle - Acetal - Dialkyl ether - Ether - Carbonitrile - Nitrile - Cyanide - Organopnictogen compound - Aldehyde - Amine - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Primary amine - Organic oxide - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Organofluoride - 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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