Compound Identification
SMILES
N[C@@H](CC1=CN=CN1)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F
InChIKey
InChIKey=DNOAJGXTXVUWQD-YFKPBYRVSA-N
Formula
C12H8F5N3O2
Mass
321.207
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 Phenol esters Phenoxy compounds Imidazolyl carboxylic acids and derivatives Aralkylamines Fatty acid esters Fluorobenzenes Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Alpha-amino acid ester - Phenol ester - Phenoxy compound - Imidazolyl carboxylic acid derivative - Halobenzene - Fluorobenzene - Fatty acid ester - Aralkylamine - Aryl halide - Aryl fluoride - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Primary aliphatic amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organohalogen 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