Compound Identification
SMILES
CC[C@H](C)[C@H](N(C)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)OCC(=O)C1=CC=CC=C1
InChIKey
InChIKey=BBWRRLYDUJOASX-YWZLYKJASA-N
Formula
C21H24N2O7S
Mass
448.49
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
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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
Alkyl-phenylketones Alpha amino acid esters Benzenesulfonamides Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Aryl alkyl ketones Benzoyl derivatives Alpha-acyloxy ketones Fatty acid esters Organosulfonamides Aminosulfonyl compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid ester - Alkyl-phenylketone - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Phenylketone - Aryl ketone - Aryl alkyl ketone - Nitroaromatic compound - Benzoyl - Alpha-acyloxy ketone - Fatty acid ester - Benzenoid - Fatty acyl - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carboxylic acid ester - Organic nitro compound - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic 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