Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)[C@@H](CN[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCOC1=O)NC[C@H](CS)NC(=O)OCC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=FXTLMKOWKJAUNC-OPKJJQJASA-N

Formula

C27H43N5O7S

Mass

581.73

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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 - Acyl-homoserine lactone - Alpha-amino acid amide - Acyl-l-homoserine lactone - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Fatty acyl - N-acyl-amine - Benzenoid - Gamma butyrolactone - Fatty amide - Oxolane - Carbamic acid ester - C-nitro compound - Organic nitro compound - Lactone - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Alkylthiol - Oxacycle - Organoheterocyclic compound - Secondary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Secondary amine - Organic oxoazanium - Organic oxide - Organic salt - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organonitrogen 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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