Structure Information
Structure

Compound Identification

SMILES

CCC(=O)C1=C(C(OC(=O)C(N)C(C)C)C(COC(=O)C(N)C(C)C)OCC(O)=O)C([C@H]2C[C@H]2NC(=O)NC2=NC=C(Br)C=C2)=C(F)C=C1

InChIKey

InChIKey=RPWWEACGQYBWEN-QAXYZQOHSA-N

Formula

C33H43BrFN5O9

Mass

752.635

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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

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - Valine or derivatives - Alkyl-phenylketone - Benzyloxycarbonyl - Phenylketone - Phenylpropane - Tricarboxylic acid or derivatives - Aryl ketone - Benzoyl - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Fatty acid ester - Aryl bromide - Aryl fluoride - Aryl halide - Pyridine - Monocyclic benzene moiety - Imidolactam - Fatty acyl - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Urea - Ketone - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Primary aliphatic amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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