Compound Identification
SMILES
COC(=O)[C@@]1(CC2=CC=C(F)C=C2)C2C(CN1C(=O)C1=CC=CC=C1)CC1=C2C=C(N1CCCNC1=C(Cl)C=C(C=N1)C(F)(F)F)C(=O)N1CCCC1
InChIKey
InChIKey=YWTXJAZVXGPDGW-HEAAOXPWSA-N
Formula
C39H38ClF4N5O4
Mass
752.21
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 2-heteroaryl carboxamides Pyrrolidine carboxylic acids Pyrrole carboxamides Benzoyl derivatives N-acylpyrrolidines Aminopyridines and derivatives Fatty acid esters Fluorobenzenes Substituted pyrroles Aryl fluorides Aryl chlorides Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Methyl esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organochlorides Organofluorides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Alpha-amino acid ester - Amphetamine or derivatives - Benzoic acid or derivatives - Benzamide - N-acylpyrrolidine - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Benzoyl - Aminopyridine - Fluorobenzene - Halobenzene - Fatty acid ester - Substituted pyrrole - Pyridine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Aryl chloride - Fatty acyl - Aryl halide - Aryl fluoride - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organohalogen compound - Amine - Organic nitrogen compound - Alkyl halide - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organofluoride - Organochloride - 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