Compound Identification
SMILES
CCC(C)C(N)C(=O)OCN1C=CSC1=NC(=O)C1=CC(F)=C(NC(=O)CC(C)(C)C)C(F)=C1
InChIKey
InChIKey=CXYCGSUYZULCTR-UHFFFAOYSA-N
Formula
C23H30F2N4O4S
Mass
496.57
Taxonomic Classification
Taxonomy Tree
-
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
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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
Acylaminobenzoic acid and derivatives Alpha amino acid esters 3-halobenzoic acids and derivatives Anilides N-arylamides Benzoyl derivatives Fluorobenzenes Fatty acid esters Aryl fluorides Fatty amides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Isothioureas Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organofluorides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid ester - Acylaminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Anilide - Benzoic acid or derivatives - N-arylamide - Benzoyl - Halobenzene - Fluorobenzene - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Isothiourea - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Primary aliphatic amine - 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