Compound Identification
SMILES
COC(=O)C(CC1=CN=CN1)NS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=MUNWZRYISZWQNA-UHFFFAOYSA-N
Formula
C15H13F6N3O4S
Mass
445.34
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
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Histidine 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
Histidine and derivatives
Alternative Parents
Alpha amino acid esters Trifluoromethylbenzenes Benzenesulfonamides Benzenesulfonyl compounds Imidazolyl carboxylic acids and derivatives Fatty acid esters Organosulfonamides Aminosulfonyl compounds Methyl esters Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Alpha-amino acid ester - Trifluoromethylbenzene - Benzenesulfonamide - Benzenesulfonyl group - Imidazolyl carboxylic acid derivative - Fatty acid ester - Monocyclic benzene moiety - Organosulfonic acid amide - Fatty acyl - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Methyl ester - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available