Compound Identification
SMILES
CCN1c2c([C@@H]([C@H](NC(=O)c3cccc(c3)C(F)(F)F)C1=O)c1ccsc1C)c(C)nn2-c1ccccc1
InChIKey
InChIKey=JYOJBWHBWVNVLZ-ZEQRLZLVSA-N
Formula
C28H25F3N4O2S
Mass
538.59
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
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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
Alpha amino acid amides Phenylpyrazoles Trifluoromethylbenzenes Benzamides Benzoyl derivatives N-acyl amines Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylpyrazole - Trifluoromethylbenzene - Benzoic acid or derivatives - Benzamide - Benzoyl - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Pyrazole - Azole - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - 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