Compound Identification
SMILES
COC(=O)C(\NC(C)=O)=C\C1=CN(C2=C1C=C(C=C2)[N+]([O-])=O)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=NHMFFQAZZOIDEI-GRSHGNNSSA-N
Formula
C21H19N3O7S
Mass
457.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Tosyl compounds Benzenesulfonamides Benzenesulfonyl compounds Indoles Nitroaromatic compounds Fatty acid esters Substituted pyrroles Organosulfonic acids and derivatives Sulfonyls Methyl esters Enoate esters Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Indole - Indole or derivatives - Nitroaromatic compound - Fatty acid ester - Toluene - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Fatty acyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Pyrrole - Enoate ester - Acetamide - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Monocarboxylic acid or derivatives - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available