Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1C1=NOC(=O)N1C1=CC=CC(=C1)C(F)(F)F.CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1

InChIKey

InChIKey=ZZBVEZXJRYYUAJ-YOXDLBRISA-N

Formula

C54H61F3N8O8

Mass

1007.125

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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

Asparagine and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Asparagine or derivatives - Quinoline-2-carboxamide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylbutylamine - Phenyl-1,2,4-oxadiazole - Quinoline - Amphetamine or derivatives - Trifluoromethylbenzene - 2-piperidinecarboxamide - Piperidinecarboxamide - Pyridine carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Methoxybenzene - 2-heteroaryl carboxamide - Anisole - Alkyl aryl ether - Aralkylamine - Fatty amide - N-acyl-amine - Benzenoid - Monocyclic benzene moiety - Pyridine - Piperidine - Fatty acyl - Azole - 1,2,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Alcohol - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

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