Compound Identification
SMILES
C[C@H](NC(=O)C1=C(C2=C(N1)C=CC(Br)=C2)S(=O)(=O)C1=CC(C)=CC(C)=C1)C(N)=O
InChIKey
InChIKey=ZWDMOCLWOFLYJB-LBPRGKRZSA-N
Formula
C20H20BrN3O4S
Mass
478.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
Indolecarboxamides and derivatives Alanine and derivatives Benzenesulfonyl compounds Indoles Pyrrole carboxamides m-Xylenes 2-heteroaryl carboxamides Aryl bromides Substituted pyrroles Sulfones Heteroaromatic compounds Primary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Indolecarboxamide derivative - Indolecarboxylic acid derivative - Alanine or derivatives - Indole - Indole or derivatives - Benzenesulfonyl group - 2-heteroaryl carboxamide - M-xylene - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Xylene - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Sulfonyl - Sulfone - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carbonyl group - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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