Structure Information
Structure

Compound Identification

SMILES

OS(=O)(=O)C(F)(F)F.CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)C1=CC(NCCN2CCOCC2)=NC(=N1)C1=CC=CC=C1

InChIKey

InChIKey=JHQAUMXOAUKEGB-FTBISJDPSA-N

Formula

C30H40F3N7O10S

Mass

747.74

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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

Not available

Substituents

N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Piperazine-1-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Trifluoromethanesulfonate - Aminopyrimidine - Monocyclic benzene moiety - 1,4-diazinane - Morpholine - Oxazinane - Piperazine - Pyrimidine - Imidolactam - Benzenoid - Methanesulfonate - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary carboxylic acid amide - Carbamic acid ester - Alkanesulfonic acid - Secondary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Amino acid - Trihalomethane - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Alkyl halide - Halomethane - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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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