Compound Identification
SMILES
CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)[C@H](CC)NC(=O)C1=C(F)C=C(C=C1)C#N
InChIKey
InChIKey=SXVYZNOYCPFWCF-FQEVSTJZSA-N
Formula
C24H32FN3O4
Mass
445.535
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
- Level 6 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives N-acylpiperidines Benzamides Benzoyl derivatives Benzonitriles Fluorobenzenes Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - N-acyl-piperidine - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Fluorobenzene - Halobenzene - Benzenoid - Aryl halide - Piperidine - Aryl fluoride - Monocyclic benzene moiety - Vinylogous halide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Carbonitrile - Monocarboxylic acid or derivatives - Nitrile - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available