Compound Identification
SMILES
[Cl-].CCC(C)C(NC(=O)C1=CC=CC=C1SC(=O)CCC[N+]1=CC=CC=C1)C(N)=O
InChIKey
InChIKey=HVSMMYQDJPJFKC-UHFFFAOYSA-N
Formula
C22H28ClN3O3S
Mass
449.99
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
Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives O-sulfanylbenzoic acids and derivatives Thiophenol esters Aryl thioethers Benzoyl derivatives Fatty acyl thioesters Pyridinium derivatives Fatty amides Heteroaromatic compounds Primary carboxylic acid amides Secondary carboxylic acid amides Thioesters Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzamide - Thiophenol ester - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Fatty acyl thioester - Fatty acyl - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Fatty amide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carbothioic s-ester - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Organoheterocyclic compound - Azacycle - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic chloride salt - Hydrocarbon derivative - Carbonyl group - Organic salt - Organopnictogen compound - Organic oxide - 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