Compound Identification
SMILES
CC[C@H](C)[C@H](NC(=O)C1=NC2=CC=CC=C2N=C1)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC(NC(C)=O)=C(F)C=C1
InChIKey
InChIKey=GSTXDHVBETUIQS-BDNWRBNRSA-N
Formula
C37H45FN6O6S
Mass
720.86
Taxonomic Classification
Taxonomy Tree
-
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
-
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides O-haloacetanilides Phenylbutylamines Benzenesulfonamides Amphetamines and derivatives Quinoxalines N-acetylarylamines Benzenesulfonyl compounds Pyrazinecarboxamides 2-heteroaryl carboxamides Fluorobenzenes Organosulfonamides Aryl fluorides N-acyl amines Acetamides Aminosulfonyl compounds Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylbutylamine - O-haloacetanilide - Haloacetanilide - Diazanaphthalene - Quinoxaline - Benzenesulfonamide - Amphetamine or derivatives - Acetanilide - Pyrazine carboxylic acid or derivatives - N-acetylarylamine - Anilide - Benzenesulfonyl group - Pyrazinecarboxamide - 2-heteroaryl carboxamide - N-arylamide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Fatty acyl - Pyrazine - N-acyl-amine - Organosulfonic acid amide - Fatty amide - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Acetamide - Sulfonyl - Aminosulfonyl compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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