Compound Identification
SMILES
CC[C@@H](C)[C@H](NC(=O)C1=CC=CC(CCCC2=C(O)C3=CC=CC=C3OC2=O)=C1)C(=O)N(C)C1=CC=CC=N1
InChIKey
InChIKey=IYHPAFJLKQGNEF-HRFSGMKKSA-N
Formula
C31H33N3O5
Mass
527.621
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
N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives 4-hydroxycoumarins Alpha amino acid amides 1-benzopyrans Benzoyl derivatives Pyranones and derivatives Pyridines and derivatives Imidolactams Vinylogous acids Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - 4-hydroxycoumarin - Alpha-amino acid amide - Hydroxycoumarin - Coumarin - 1-benzopyran - Benzopyran - Benzoic acid or derivatives - Benzamide - Benzoyl - Pyranone - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyridine - Pyran - Heteroaromatic compound - Vinylogous acid - Tertiary carboxylic acid amide - Lactone - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen 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