Compound Identification
SMILES
COC(=O)[C@@]1(CC2=CC=C(F)C=C2)[C@@H]2[C@H](CN1C(=O)C1=CC=CC=C1)CC1=C2C=C(N1CC1=CN=C(C=C1)C(F)(F)F)C(=O)N1CCCC1
InChIKey
InChIKey=XCKMVXFUJNWDRX-IQGXZWDMSA-N
Formula
C37H34F4N4O4
Mass
674.697
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Alpha amino acid esters Amphetamines and derivatives Benzamides Benzoyl derivatives Pyrrolidine carboxylic acids Pyrrole carboxamides N-acylpyrrolidines 2-heteroaryl carboxamides Fatty acid esters Fluorobenzenes Aryl fluorides Substituted pyrroles Pyridines and derivatives Methyl esters Heteroaromatic compounds Tertiary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Alpha-amino acid ester - Amphetamine or derivatives - Benzoic acid or derivatives - Benzamide - 2-heteroaryl carboxamide - N-acylpyrrolidine - Benzoyl - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Fatty acid ester - Halobenzene - Fluorobenzene - Substituted pyrrole - Fatty acyl - Benzenoid - Aryl fluoride - Pyridine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrolidine - Methyl ester - Tertiary carboxylic acid amide - Pyrrole - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alkyl fluoride - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available