Structure Information
Structure

Compound Identification

SMILES

CCN1N=C(CC2=CC=C(OC)C=C2)C=C1C1CCN(C[C@H]2CN(C[C@@H]2C2=CC(F)=CC=C2)[C@@H](C(O)=O)C(C)(C)C)CC1

InChIKey

InChIKey=WUOVQUPKHAFCDO-QOCRQHEPSA-N

Formula

C35H47FN4O3

Mass

590.784

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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 - D-alpha-amino acid - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Pyrrole - Pyrazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organopnictogen compound - Organic oxide - Organohalogen compound - Carbonyl group - Amine - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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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