Compound Identification
SMILES
CCCCOC1=C(Br)C=C(C=NNC(=O)CCNC(=O)C2=CC(Cl)=C(Cl)C=C2)C=C1
InChIKey
InChIKey=JMKOYSKDUNGLSO-UHFFFAOYSA-N
Formula
C21H22BrCl2N3O3
Mass
515.23
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
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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
3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Aryl chlorides Secondary carboxylic acid amides Organic oxides Organobromides Organonitrogen compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - 1,2-dichlorobenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Bromobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Secondary carboxylic acid amide - Carboxamide group - Ether - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organobromide - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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