Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.CCCS(=O)(=O)N1C2C[N+](CC3=CC=C(C=C3)C(=O)NCCC(O)=O)(C\C2=N/O)CC1=O
InChIKey
InChIKey=AGHDAGPIIOGODR-YHLMHSEJSA-N
Formula
C22H27F3N4O9S
Mass
580.53
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 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Alpha amino acids and derivatives Benzamides Benzoyl derivatives Benzylamines Phenylmethylamines Aralkylamines N-alkylpiperazines 1,4-diazepanes N-alkylpyrrolidines Tetraalkylammonium salts Sulfonyls Organosulfonic acids and derivatives Alpha-halocarboxylic acids Carboxylic acid salts Secondary carboxylic acid amides Carboxylic acids Oximes Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Alkyl fluorides Organofluorides
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - 1,4-diazepane - Aralkylamine - N-alkylpiperazine - Diazepane - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - 1,4-diazinane - Piperazine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tetraalkylammonium salt - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Quaternary ammonium salt - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Oxime - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carbonyl group - Organic zwitterion - Organofluoride - Amine - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available