Compound Identification
SMILES
CCC[C@H]1CC(=O)C=CN1[C@@H]([C@@H](C)CC)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=QFUXADVPDSYFDI-QRFRQXIXSA-N
Formula
C21H29NO3
Mass
343.467
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 Benzyloxycarbonyls Tetrahydropyridines Fatty acid esters Vinylogous amides Trialkylamines Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Enamines Azacyclic compounds Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid ester - Benzyloxycarbonyl - Fatty acid ester - Tetrahydropyridine - Monocyclic benzene moiety - Hydropyridine - Fatty acyl - Benzenoid - Vinylogous amide - Carboxylic acid ester - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Monocarboxylic acid or derivatives - Allylamine - Enamine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen 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