Structure Information
Structure

Compound Identification

SMILES

COC(=O)N[C@@H](C(C)C)C(=O)N1[C@@H]2C[C@H]2C[C@H]1C1=NC2=C(CCC3=C2C=CC(=C3)C#CC2=CC3=C(C=C2)C2=C(CC3)NC(=N2)[C@@H]2C[C@H]3C[C@H]3N2C(=O)[C@H](C(C)C)N(C)C(O)=O)N1

InChIKey

InChIKey=FNLIGUWMHLTYRO-WWSJVEEXSA-N

Formula

C48H54N8O6

Mass

839.01

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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 heteropolycyclic compounds

Substituents

Valine or derivatives - Alpha-amino acid amide - Naphthalene - N-acyl-piperidine - N-acylpyrrolidine - Benzenoid - Piperidine - Methylcarbamate - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Carbamic acid - Carbamic acid derivative - Carboxamide group - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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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