Structure Information
Structure

Compound Identification

SMILES

NC1=C(C=C(C[C@@H](OC(=O)N2CCC(CC2)N2CCC3=CC=CC=C3NC2=O)C(=O)N2CCC(CC2)C2CCN(CC(=O)OCCN3CCCCC3=O)CC2)C=C1Cl)C(F)(F)F

InChIKey

InChIKey=YBKARNXOUHNELV-DIPNUNPCSA-N

Formula

C44H57ClF3N7O7

Mass

888.43

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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 heteropolycyclic compounds

Substituents

Alpha-amino acid ester - Trifluoromethylbenzene - N-acyl-piperidine - Piperidinecarboxylic acid - Aniline or substituted anilines - Chlorobenzene - Delta-lactam - Halobenzene - Piperidinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Urea - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary amine - Amine - Organic nitrogen compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic 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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