Compound Identification
SMILES
[Na+].COCCCC1=CC(CN(C2CC2)C(=O)C(CN)CC2=CC=C(OCCOC3=C(Cl)C=C(C)C=C3Cl)C=C2)=C(Cl)C(OCC2CC2C([O-])=O)=C1
InChIKey
InChIKey=XCTSZBACEXMKLG-UHFFFAOYSA-M
Formula
C38H44Cl3N2NaO7
Mass
770.12
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
-
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
Phenoxy compounds Phenol ethers Dichlorobenzenes Toluenes Alkyl aryl ethers Aralkylamines Aryl chlorides Cyclopropanecarboxylic acids Tertiary carboxylic acid amides Amino acids Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organic sodium salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Toluene - Aralkylamine - Aryl chloride - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid - Carboxylic acid salt - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Organic metal halide - Dialkyl ether - Ether - Organic alkali metal salt - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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