Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCN2C(C1)=C(N=C2C(F)(F)F)C(=O)N1CCS(=O)(=O)CC1)CC1=CC(F)=C(F)C=C1F

InChIKey

InChIKey=PIRIYIQGQPEWMB-MRXNPFEDSA-N

Formula

C27H31F6N5O6S

Mass

667.62

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Amphetamine or derivatives - 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - 1,4-thiazinane - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Carbamic acid ester - Sulfone - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic oxide - Amine - Organic nitrogen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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