Compound Identification
SMILES
CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=NC(=CS1)C1=CC(OC)=CC=C1
InChIKey
InChIKey=SKMGGGPZQRRMTG-DPLAEZHRSA-N
Formula
C21H29N3O8S2
Mass
515.6
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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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
C-glycosyl compounds Phenoxy compounds Methoxybenzenes Anisoles 2,4-disubstituted thiazoles Alkyl aryl ethers Monosaccharides Oxolanes Organic sulfuric acids and derivatives Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - Glycosyl compound - C-glycosyl compound - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Azole - Oxolane - Thiazole - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Primary amine - Primary aliphatic amine - Organooxygen compound - Organonitrogen compound - 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