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(C=C2)C#CC2=CC=C(S2)[N+]([O-])=O)[C@H](O)[C@@H]1O
InChIKey
InChIKey=IKVRACLXDQLNDU-HKFKETPPSA-N
Formula
C26H31N7O9S2
Mass
649.69
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 Phenyltetrazoles and derivatives 2-nitrothiophenes Nitroaromatic compounds 2,5-disubstituted thiophenes Benzene and substituted derivatives Monosaccharides Organic sulfuric acids and derivatives Tetrahydrofurans Heteroaromatic compounds 1,2-diols Secondary alcohols Organic oxoazanium compounds Oxacyclic compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - Phenyltetrazole - Glycosyl compound - C-glycosyl compound - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - 2,5-disubstituted thiophene - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Organic sulfuric acid or derivatives - Azole - Tetrahydrofuran - Thiophene - Heteroaromatic compound - Tetrazole - C-nitro compound - Organic nitro compound - Secondary alcohol - 1,2-diol - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Primary aliphatic amine - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Carbonyl group - Organic nitrogen compound - Organic zwitterion - 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