Compound Identification
SMILES
CC[C@H](C)[C@H](NC(=O)C1=C(C)N=C(C)C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC)C(=O)OC
InChIKey
InChIKey=XLRRUVAWJJFJRR-VQACZQFBSA-N
Formula
C23H29N3O7
Mass
459.499
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 N-acyl-alpha amino acids and derivatives Dihydropyridinecarboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Ketimines Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Nitrobenzene - Dihydropyridinecarboxylic acid derivative - Nitroaromatic compound - Dihydropyridine - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Hydropyridine - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Ketimine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organic oxygen compound - Organic salt - Organic nitrogen compound - Imine - Organic oxide - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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