Compound Identification
SMILES
C[C@@H]([NH+]1CCN(CC1)S(=O)(=O)C1=CC=C(F)C=C1)C(=O)N(C)C
InChIKey
InChIKey=CYOBANXBCCATGF-GFCCVEGCSA-O
Formula
C15H23FN3O3S
Mass
344.42
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 Alanine 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
Alanine and derivatives
Alternative Parents
Benzenesulfonamides N-piperazineacetamides Benzenesulfonyl compounds Fluorobenzenes N-alkylpiperazines Aryl fluorides Organosulfonamides Quaternary ammonium salts Sulfonyls Tertiary carboxylic acid amides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alanine or derivatives - Benzenesulfonamide - N-piperazineacetamide - Benzenesulfonyl group - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Organosulfonic acid amide - Tertiary carboxylic acid amide - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic oxide - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available