Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)C(O[C@@H]1C[C@H](N(C1)[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)C(=O)NC(=O)[C@H](NC1=CN=CC=C1)C(C)(C)C)=NC=C2

InChIKey

InChIKey=NVQYCIVVXONCHY-VOMXAXDBSA-N

Formula

C35H42N6O7S

Mass

690.82

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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 - Proline or derivatives - Alpha-amino acid amide - Isoquinoline - Anisole - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - 1-aminocyclopropane-1-carboxylic acid or derivatives - Alkyl aryl ether - Aminopyridine - Secondary aliphatic/aromatic amine - Cyclopropanecarboxylic acid or derivatives - N-acyl-amine - Pyridine - Benzenoid - N-alkylpyrrolidine - Aminosulfonyl compound - Pyrrolidine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Organoheterocyclic compound - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organic oxygen 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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