Compound Identification
SMILES
CC1=NN(C(=O)C1N=NC1=CC=C(NC2=C(Cl)C(F)=NC(F)=N2)C=C1)C1=C(C=CC(=C1)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=KXQHRWALALFEOE-UHFFFAOYSA-N
Formula
C20H14ClF2N7O7S2
Mass
601.94
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
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aniline and substituted anilines 2-halopyrimidines Aminopyrimidines and derivatives Pyrazolones Aryl chlorides Aryl fluorides Imidolactams Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Azacyclic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Aniline or substituted anilines - Halopyrimidine - 2-halopyrimidine - Aminopyrimidine - Pyrazolinone - Aryl halide - Aryl chloride - Imidolactam - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Pyrazoline - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Azo compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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