Compound Identification
SMILES
OC(=O)C1=C(NC[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N12)OS(=O)(=O)C(F)(F)F
InChIKey
InChIKey=PTVCLVRGKCDEJP-KOLCDFICSA-N
Formula
C16H14F3N3O7S
Mass
449.36
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
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Phenylacetamides Trifluoromethanesulfonates Sulfonic acid esters Organosulfonic acid esters Vinylogous amides Tertiary carboxylic acid amides Sulfonyls Beta lactams Methanesulfonates Trihalomethanes Secondary carboxylic acid amides Azetidines Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Alkyl fluorides Carbonyl compounds Organofluorides Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Phenylacetamide - Trifluoromethanesulfonate - Monocyclic benzene moiety - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Beta-lactam - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Tertiary carboxylic acid amide - Sulfonyl - Azetidine - Carboxamide group - Lactam - Trihalomethane - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organosulfur compound - Organohalogen compound - Alkyl fluoride - Organofluoride - Organic oxide - Organonitrogen compound - Alkyl halide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Halomethane - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available