Compound Identification
SMILES
CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](CCN2N=NC(=N2)C2=CC=C(OC3=NC=CS3)C=C2)[C@H](O)[C@@H]1O
InChIKey
InChIKey=IROLLWUASAOBBN-DMXBSKOQSA-N
Formula
C23H31N7O8S2
Mass
597.66
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
C-glycosyl compounds Diarylethers Phenyltetrazoles and derivatives Phenol ethers Phenoxy compounds Monosaccharides Organic sulfuric acids and derivatives Heteroaromatic compounds Tetrahydrofurans Thiazoles 1,2-diols Secondary alcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - C-glycosyl compound - Diaryl ether - Glycosyl compound - Phenyltetrazole - Phenoxy compound - Phenol ether - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Azole - Organic sulfuric acid or derivatives - Heteroaromatic compound - Tetrahydrofuran - Tetrazole - Thiazole - Secondary alcohol - 1,2-diol - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Organonitrogen compound - Alcohol - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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