Compound Identification
SMILES
OC(=O)C(F)(F)F.NC(=N)C1=CC(CN2CC[C@H](NS(=O)(=O)C3=CC4=CC=CC=C4S3)C2=O)=CC=C1
InChIKey
InChIKey=IEBBWFXAIIXOGG-NTISSMGPSA-N
Formula
C22H21F3N4O5S2
Mass
542.55
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
1-benzothiophenes 2,3,5-trisubstituted thiophenes Pyrrolidine-2-ones Organosulfonamides N-alkylpyrrolidines Benzene and substituted derivatives Tertiary carboxylic acid amides Alpha-halocarboxylic acids Aminosulfonyl compounds Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carboxamidines Carboximidamides Organic oxides Alkyl fluorides Carbonyl compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alpha-amino acid or derivatives - Benzothiophene - 1-benzothiophene - 2,3,5-trisubstituted thiophene - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Organosulfonic acid amide - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alpha-halocarboxylic acid - Sulfonyl - Tertiary carboxylic acid amide - Thiophene - Aminosulfonyl compound - Alpha-halocarboxylic acid or derivatives - Carboxamide group - Lactam - Carboxylic acid - Carboxylic acid amidine - Amidine - Organoheterocyclic compound - Azacycle - Carboximidamide - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Organic oxide - Organooxygen compound - Organosulfur compound - Alkyl halide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available