Compound Identification
SMILES
C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1.O[C@H](CNC(=O)C1=CC=C(CN(C(=O)NC2=CC(Cl)=CC(Cl)=C2)C2=CC=C(C=C2)C2=CCCCC2)C=C1)C(O)=O
InChIKey
InChIKey=MGFPDYHUQIIGRZ-HZPIKELBSA-N
Formula
C46H49Cl2N5O5
Mass
822.83
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
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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
N-phenylureas Benzamides Phenylmethylamines Dichlorobenzenes Benzylamines Benzoyl derivatives Aralkylamines Alpha hydroxy acids and derivatives Monosaccharides Aryl chlorides Ureas Secondary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - N-phenylurea - Benzamide - Benzoic acid or derivatives - Benzoyl - Benzylamine - 1,3-dichlorobenzene - Phenylmethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Monosaccharide - Secondary alcohol - Secondary carboxylic acid amide - Urea - Carboxamide group - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - 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