Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)[C@H](NC(=O)C1=C(C)N=C(C)C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC)C(=O)OC

InChIKey

InChIKey=XLRRUVAWJJFJRR-VQACZQFBSA-N

Formula

C23H29N3O7

Mass

459.499

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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 - N-acyl-alpha amino acid or derivatives - Nitrobenzene - Dihydropyridinecarboxylic acid derivative - Nitroaromatic compound - Dihydropyridine - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Hydropyridine - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Ketimine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organic oxygen compound - Organic salt - Organic nitrogen compound - Imine - Organic oxide - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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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