Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)[C@H](N(C)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)OCC(=O)C1=CC=CC=C1

InChIKey

InChIKey=BBWRRLYDUJOASX-YWZLYKJASA-N

Formula

C21H24N2O7S

Mass

448.49

Export to:

JSON SDF CSV

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 homomonocyclic compounds

Substituents

Isoleucine or derivatives - Alpha-amino acid ester - Alkyl-phenylketone - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Phenylketone - Aryl ketone - Aryl alkyl ketone - Nitroaromatic compound - Benzoyl - Alpha-acyloxy ketone - Fatty acid ester - Benzenoid - Fatty acyl - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carboxylic acid ester - Organic nitro compound - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic 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

Previous Back Next