Compound Identification
SMILES
COCCN(CCC(=O)NC1=C(Cl)C=CC(Cl)=C1)C1=C(N)N(CC(C)C)C(=O)NC1=O
InChIKey
InChIKey=JYJFYZHWZSYXOT-UHFFFAOYSA-N
Formula
C20H27Cl2N5O4
Mass
472.37
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
Anilides N-arylamides Dialkylarylamines Dichlorobenzenes Pyrimidones Aminopyrimidines and derivatives Aryl chlorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Dialkyl ethers Carbonyl compounds Primary amines Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Anilide - Dialkylarylamine - 1,4-dichlorobenzene - N-arylamide - Aminopyrimidine - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Urea - Lactam - Azacycle - Dialkyl ether - Organoheterocyclic compound - Ether - Organooxygen compound - Primary amine - Organonitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organohalogen 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