Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@H](NC1=CC=CC=C1C(=O)NCCCCN1CCN(CC1)C1=NSC2=CC=CC=C12)C(O)=O

InChIKey

InChIKey=GSZHOWDOPPWVOO-DEOSSOPVSA-N

Formula

C27H35N5O3S

Mass

509.67

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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 - N-arylpiperazine - Alpha-amino acid - Anthranilamide - Aminobenzamide - Aminobenzoic acid or derivatives - L-alpha-amino acid - 2-aminobenzamide - Benzamide - Benzoic acid or derivatives - 1,2-benzothiazole - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Phenylalkylamine - N-alkylpiperazine - Secondary aliphatic/aromatic amine - Imidolactam - Benzenoid - 1,2-thiazolamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Vinylogous amide - Azole - Thiazole - Heteroaromatic compound - Tertiary aliphatic amine - Amino acid - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary amine - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic oxide - 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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