Compound Identification
SMILES
COC(=O)C(NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C(NS(=O)(=O)C1=CC=C(C)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=YKOPZASKVVJBPZ-UHFFFAOYSA-N
Formula
C24H22N4O9S
Mass
542.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters P-toluenesulfonamides Benzenesulfonamides Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Benzoyl derivatives Fatty acid esters Organosulfonamides Methyl esters Aminosulfonyl compounds Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Toluene - Fatty acid ester - Benzenoid - Organosulfonic acid amide - Fatty acyl - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Methyl ester - Sulfonyl - Aminosulfonyl compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic homomonocyclic 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