Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC(=O)OCCBr)C(=NC=C1)C(=O)NC1COC(=O)C(CC2=CC=CC=C2)C(OC(=O)C(C)C)C(C)OC1=O

InChIKey

InChIKey=IFWLHTINAMDLDN-UHFFFAOYSA-N

Formula

C29H33BrN2O11

Mass

665.49

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Tricarboxylic acid or derivatives - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Alkyl aryl ether - Monocyclic benzene moiety - Carbonic acid diester - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Carbonic acid derivative - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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