Compound Identification
SMILES
COC(=O)C(CC1=CN=CN1)NS(=O)(=O)C1=CC(Cl)=C(F)C=C1
InChIKey
InChIKey=WVIZGKRGZNDPQH-UHFFFAOYSA-N
Formula
C13H13ClFN3O4S
Mass
361.77
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 Histidine 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
Histidine and derivatives
Alternative Parents
Alpha amino acid esters Benzenesulfonamides Benzenesulfonyl compounds Imidazolyl carboxylic acids and derivatives Chlorobenzenes Fatty acid esters Fluorobenzenes Aryl chlorides Organosulfonamides Aryl fluorides Heteroaromatic compounds Aminosulfonyl compounds Methyl esters Azacyclic compounds Monocarboxylic acids and derivatives Organochlorides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Alpha-amino acid ester - Benzenesulfonamide - Benzenesulfonyl group - Imidazolyl carboxylic acid derivative - Halobenzene - Fluorobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Methyl ester - Azole - Imidazole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Organic oxygen 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