Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC1=CC=C(CC(N)C(=O)NC2=CC=CC(=C2)C2=CSC(SCC(=O)NC3CCN(CC4=CC(Cl)=C(Cl)C=C4)CC3)=N2)C=C1

InChIKey

InChIKey=PTTIBLOGAZJERT-UHFFFAOYSA-N

Formula

C36H41Cl2N5O3S2

Mass

726.78

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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 heteromonocyclic compounds

Substituents

Phenylalanine or derivatives - N-benzylpiperidine - Benzylpiperidine - Alpha-amino acid amide - Amphetamine or derivatives - Anilide - Phenoxy compound - Aryl thioether - Benzylamine - 1,2-dichlorobenzene - Phenol ether - Phenylmethylamine - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Alkylarylthioether - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Piperidine - Fatty acyl - Thiazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Thioether - Ether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Primary amine - Amine - Primary aliphatic amine - Organohalogen compound - Organic oxygen compound - Organochloride - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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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