Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1CC(N2NC(=CC2=N1)C(=O)NCC1=CC=CS1)C(F)(F)F
InChIKey
InChIKey=RCLCLFDACAKKTK-UHFFFAOYSA-N
Formula
C21H21F3N4O3S
Mass
466.48
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
-
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
Dimethoxybenzenes Pyrimidinecarboxamides Pyrazolopyrimidines Anisoles Phenoxy compounds Alkyl aryl ethers Hydropyrimidines Imidolactams Thiophenes Pyrazolines Heteroaromatic compounds Pyrazoles Secondary carboxylic acid amides Amidrazones Amidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Pyrazolopyrimidine - Pyrimidinecarboxamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Pyrazole - Pyrazoline - Thiophene - Heteroaromatic compound - Carboxylic acid amidrazone - Carboxamide group - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amidine - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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