Compound Identification
SMILES
CCOC1=C(OCC2=CC=C(Br)C=C2)C(Br)=CC(C=NNC(=O)CCNC(=O)C2=CC=CC=C2F)=C1
InChIKey
InChIKey=QQDXILWWECZUEK-UHFFFAOYSA-N
Formula
C26H24Br2FN3O4
Mass
621.301
Taxonomic Classification
Taxonomy Tree
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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
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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 Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Fluorobenzene - Benzenoid - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Ether - Carbonyl group - Organohalogen compound - Organic oxygen compound - Organobromide - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic 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