Compound Identification
SMILES
CCC1=C(C)SC(NC(NC(=O)OC)(C(=O)OC)C(F)(F)F)=C1C#N
InChIKey
InChIKey=BZPPRZBFQKRNRD-UHFFFAOYSA-N
Formula
C14H16F3N3O4S
Mass
379.35
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Secondary alkylarylamines Thiophenes Methylcarbamates Methyl esters Heteroaromatic compounds Organic carbonic acids and derivatives Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Secondary aliphatic/aromatic amine - Methylcarbamate - Thiophene - Heteroaromatic compound - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available