Compound Identification
SMILES
CCC(C)C(NC(=O)NC1=CC=C(C)C=C1)C(=O)NC1=NN=C(S1)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=USNDMMLDKNNCJU-UHFFFAOYSA-N
Formula
C23H25N5O4S
Mass
467.54
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
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Subclass
Amino acids, peptides, and analogues
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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 Benzodioxoles N-arylamides Toluenes Fatty amides Thiadiazoles Heteroaromatic compounds Ureas Secondary carboxylic acid amides Acetals Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - N-phenylurea - Benzodioxole - N-arylamide - Toluene - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Carbonic acid derivative - Secondary carboxylic acid amide - Urea - Azacycle - Oxacycle - Acetal - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic 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