Structure Information
Structure

Compound Identification

SMILES

COC1=C(C(=O)N(C)N=C1)C1=CC=C(C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C(=O)CC2=CSC=C2)C(O)=O)C=C1

InChIKey

InChIKey=QSBFGEUSGLNJQQ-HYBUGGRVSA-N

Formula

C27H32N4O6S

Mass

540.64

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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

Phenylalanine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylalanine or derivatives - N-acyl-alpha-amino acid - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Phenylpyridazine - 3-phenylpropanoic-acid - Amphetamine or derivatives - Alkyl aryl ether - Pyridazinone - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Pyridazine - Benzenoid - Fatty acyl - Vinylogous ester - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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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