Compound Identification
SMILES
CC[C@H](C)[C@H](NCCC1=CC=C(C=C1)N1C(=O)C=CC(C(=O)C2=C(F)C=C(F)C=C2)=C1N)C(=O)OC(C)(C)C
InChIKey
InChIKey=PNMSMDDUHZWEHN-QYBDOPJKSA-N
Formula
C30H35F2N3O4
Mass
539.624
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
Alpha amino acid esters Aryl-phenylketones Phenethylamines Pyridinecarboxylic acids and derivatives Benzoyl derivatives Pyridinones Aminopyridines and derivatives Aralkylamines Dihydropyridines Fatty acid esters Fluorobenzenes Aryl fluorides Vinylogous amides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Lactams Dialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid ester - Aryl-phenylketone - Phenethylamine - Pyridine carboxylic acid or derivatives - Aryl ketone - Benzoyl - Halobenzene - Fluorobenzene - Fatty acid ester - Aminopyridine - Dihydropyridine - Pyridinone - Aralkylamine - Benzenoid - Hydropyridine - Pyridine - Aryl fluoride - Aryl halide - Fatty acyl - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Vinylogous amide - Carboxylic acid ester - Lactam - Ketone - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Primary amine - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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