Compound Identification
SMILES
COC1=C(OC)C=C2C3=CN=C(NC(CC(O)=O)C4=CC=C(F)C=C4)N3CCC2=C1
InChIKey
InChIKey=OZFRRDBFMMXXEP-UHFFFAOYSA-N
Formula
C22H22FN3O4
Mass
411.433
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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
Phenylpropanoic acids Anisoles Alkyl aryl ethers Fluorobenzenes Aminoimidazoles Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 3-phenylpropanoic-acid - Anisole - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aminoimidazole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Aromatic heteropolycyclic 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