Compound Identification
SMILES
CC(N1CC2(CCC(CC2)C(C)(C)C)N(CC2=CC=C(C=C2)C(=O)NCC(O)C(O)=O)C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=BRNKOQDXUBZSJL-UHFFFAOYSA-N
Formula
C31H40BrN3O5
Mass
614.581
Taxonomic Classification
Taxonomy Tree
-
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
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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
Benzamides Benzoyl derivatives Bromobenzenes Alpha hydroxy acids and derivatives Aryl bromides Imidazolidinones Monosaccharides Secondary alcohols Secondary carboxylic acid amides Ureas Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Alpha-hydroxy acid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Hydroxy acid - Imidazolidinone - Monosaccharide - Benzenoid - Imidazolidine - Urea - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Azacycle - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Aromatic heteropolycyclic 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