Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(=C1)C1=CC(=CC=C1)C1OC(CN2CCN(CC2)C2=CC=C(C=C2)[N+]([O-])=O)CC(O1)C1=CC=C(CO)C=C1

InChIKey

InChIKey=IVPZEUOREMQGQM-UHFFFAOYSA-N

Formula

C51H53N5O8S

Mass

896.07

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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-arylpiperazine - Phenylpiperazine - Alpha-amino acid amide - Biphenyl - P-toluenesulfonamide - Tosyl compound - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Benzyl alcohol - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Toluene - N-alkylpiperazine - Aralkylamine - Fatty amide - Piperazine - Benzenoid - Meta-dioxane - Monocyclic benzene moiety - Organosulfonic acid amide - Fatty acyl - 1,4-diazinane - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Azacycle - Acetal - Organic oxoazanium - Organoheterocyclic compound - Organopnictogen compound - Alcohol - Organic salt - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Organic zwitterion - Aromatic alcohol - Amine - 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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