Structure Information
Structure

Compound Identification

SMILES

CCC1=C(SC(CC2=CC=CC=C2)=N1)C1CCN(C[C@H]2CN(CC2C2=CC(F)=CC=C2)C(C(C)C)C(O)=O)CC1

InChIKey

InChIKey=CMPOHJWPONDMJV-XDIJHLLGSA-N

Formula

C33H42FN3O2S

Mass

563.78

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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

Valine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Valine or derivatives - 3-phenylpyrrolidine - Alpha-amino acid - 2,4,5-trisubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - N-alkylpyrrolidine - Benzenoid - Thiazole - Heteroaromatic compound - Pyrrolidine - Pyrrole - Azole - Tertiary amine - Tertiary aliphatic amine - Amino acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Azacycle - Organofluoride - Organohalogen compound - Organic oxide - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

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