Compound Identification
SMILES
NC(=O)C[C@H](NC(=O)OCC1=CC2=CC=CC=C2S1(=O)=O)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F
InChIKey
InChIKey=MRMKWWXFYKFXHE-JTQLQIEISA-N
Formula
C20H13F5N2O7S
Mass
520.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Asparagine 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
Asparagine and derivatives
Alternative Parents
Alpha amino acid esters Phenol esters Phenoxy compounds Fatty acid esters Fluorobenzenes Aryl fluorides Fatty amides Sulfones Carbamate esters Primary carboxylic acid amides Carboxylic acid esters Organoheterocyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Asparagine or derivatives - Alpha-amino acid ester - Phenol ester - Phenoxy compound - Halobenzene - Fluorobenzene - Fatty acid ester - Aryl fluoride - Aryl halide - Fatty amide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Sulfone - Carbamic acid ester - Primary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available