Compound Identification
SMILES
COC1=C(OC)C=C2CN(CCC2=C1)C(=O)C1(CCNCC1)NC(=O)CSC1=C(Cl)C=C(C=N1)C(F)(F)F
InChIKey
InChIKey=KTCYUJDHUQTEMA-UHFFFAOYSA-N
Formula
C25H28ClF3N4O4S
Mass
573.03
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Tetrahydroisoquinolines Piperidinecarboxamides Anisoles Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Sulfenyl compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Tetrahydroisoquinoline - Piperidinecarboxamide - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Aryl chloride - Aryl halide - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Ether - Azacycle - Organosulfur compound - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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