Structure Information
Structure

Compound Identification

SMILES

CNC(=O)O[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC(=NN1)C1=CC=C(C=C1)[C@H]1CC[C@@H](N1C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C1=NNC(=N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

InChIKey

InChIKey=WBBYVLKRXTVGKH-UEECLIOXSA-N

Formula

C52H67N11O6

Mass

942.179

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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 - Alpha-amino acid amide - 1-phenylpyrrolidine - 2-phenylpyrrolidine - Phenyltriazole - Phenyl-1,2,4-triazole - Phenylpropane - N-acylpyrrolidine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Methylcarbamate - Azole - Heteroaromatic compound - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Triazole - 1,2,4-triazole - Carbamic acid ester - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - 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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