Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CC[C@H](NC(=O)C1=CC=C(NCC(S)CNC2=C(Br)C(=O)N=C(N)N2)C=C1)C(=O)OCC

InChIKey

InChIKey=JBXHTTMCPWTVKQ-LYKKTTPLSA-N

Formula

C23H31BrN6O6S

Mass

599.5

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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

Glutamic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Glutamic acid or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Aminopyrimidine - Halopyrimidine - Fatty acid ester - Pyrimidone - Secondary aliphatic/aromatic amine - Benzenoid - Pyrimidine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Fatty acyl - Aryl halide - Hydropyrimidine - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Alkylthiol - Azacycle - Organoheterocyclic compound - Secondary amine - Organohalogen compound - Carbonyl group - Primary amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organobromide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid 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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