Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)[C@H]1SC[C@H](N1C(=O)[C@@H](NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=XGUXECBFMNZZIW-ACPSPAFPSA-N

Formula

C35H38N4O10S

Mass

706.77

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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 or derivatives - Alpha-amino acid ester - Valine or derivatives - Alpha-amino acid amide - Phenol ester - Amphetamine or derivatives - Nitrobenzene - Anisole - Methoxybenzene - Phenoxy compound - Phenol ether - Nitroaromatic compound - Fatty acid ester - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Thioether - Carboxylic acid - Organoheterocyclic compound - Ether - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen 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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