Structure Information
Structure

Compound Identification

SMILES

NS(=O)(=O)C1=NC2=C(S1)C=C(OCC1=CN(N=N1)[C@@H](CC1=CC=C(OCCF)C=C1)C(=O)N[C@H](CC1=CC=C(C=C1)C(F)(F)F)C(O)=O)C=C2

InChIKey

InChIKey=BTARKDIKJNJOSG-FTJBHMTQSA-N

Formula

C31H28F4N6O7S2

Mass

736.71

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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

Phenylalanine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Trifluoromethylbenzene - 1,3-benzothiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Organosulfonic acid amide - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - 1,2,3-triazole - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl fluoride - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alkyl halide - Aromatic heteropolycyclic compound

Description

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