Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)[C@@H](NC(=O)COC1=CC=CC2=C1C(C(=O)C(N)=O)=C(CC)N2CC1=CC=CC=C1)C(O)=O

InChIKey

InChIKey=YQYZYSZVPALMHM-UPCLLVRISA-N

Formula

C27H31N3O6

Mass

493.56

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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 heteropolycyclic compounds

Substituents

Isoleucine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-alkylindole - Indole - Indole or derivatives - Aryl ketone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxamide group - Ketone - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic 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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