Compound Identification
SMILES
COC[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)NC1=CC(=C(C=C1)N1CCOCC1=O)C(F)(F)F
InChIKey
InChIKey=WYDILNKRHWKIGY-CYBMUJFWSA-N
Formula
C20H19ClF3N3O5S
Mass
505.89
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
Phenylmorpholines Alpha amino acid amides Trifluoromethylbenzenes Anilides Thiophene carboxamides 2-heteroaryl carboxamides N-arylamides 2,5-disubstituted thiophenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Lactams Dialkyl ethers Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organochlorides Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylmorpholine - Trifluoromethylbenzene - Anilide - 2-heteroaryl carboxamide - N-arylamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxazinane - Morpholine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Lactam - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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