Compound Identification
SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC[C@@H](N)CS)C(=O)NCCCC1=CC=CC=C1
InChIKey
InChIKey=OPEFQMMTMAZQRD-NWPGHJEMSA-N
Formula
C22H33F6N3O5S
Mass
565.57
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
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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
Alpha amino acid amides N-acyl amines Benzene and substituted derivatives Alpha-halocarboxylic acids Secondary carboxylic acid amides Alkylthiols Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
Isoleucine or derivatives - Alpha-amino acid amide - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Benzenoid - Fatty acyl - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Alkylthiol - Organopnictogen compound - Organohalogen compound - Organofluoride - Primary aliphatic amine - Alkyl halide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Alkyl fluoride - Amine - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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