Compound Identification
SMILES
CCC(C)C(NC(=O)C1=C(Cl)C=C(C=C1)[N+]([O-])=O)C(=O)NC1=NN=C(S1)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=WMELKCXZHDZQMI-UHFFFAOYSA-N
Formula
C21H19Cl2N5O4S
Mass
508.37
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Isoleucine and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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
Isoleucine and derivatives
Alternative Parents
Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides 2-halobenzoic acids and derivatives Nitrobenzenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Chlorobenzenes Fatty amides Aryl chlorides Heteroaromatic compounds Vinylogous halides Thiadiazoles Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic zwitterions Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Benzoic acid or derivatives - N-arylamide - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Fatty acyl - Fatty amide - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous halide - Thiadiazole - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organochloride - Organic zwitterion - Organic oxygen compound - Organic salt - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available