Compound Identification
SMILES
CCC(C)C(NC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C(=O)NC1=NN=C(S1)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=QOGKGMVDVZQGDX-UHFFFAOYSA-N
Formula
C27H34ClN5O2S
Mass
528.11
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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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
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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
N-carbamoyl-alpha amino acids and derivatives Alpha amino acid amides N-phenylureas Cumenes Phenylpropanes N-arylamides Chlorobenzenes Fatty amides Aryl chlorides Heteroaromatic compounds Thiadiazoles Secondary carboxylic acid amides Ureas Azacyclic compounds Organochlorides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - N-phenylurea - Cumene - Phenylpropane - N-arylamide - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Fatty amide - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Heteroaromatic compound - Thiadiazole - Azole - Secondary carboxylic acid amide - Urea - Carboxamide group - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organohalogen compound - 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