Compound Identification
SMILES
COC1=C(OC)C=C(CCNC(C(CN(CCC2=CC(OC)=C(OC)C=C2)S(=O)(=O)C2=CC=C(Br)C=C2)C(O)=O)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=GLZZZCDQHGGNKL-UHFFFAOYSA-N
Formula
C36H40BrClN2O8S
Mass
776.14
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
Phenylpropanoic acids Benzenesulfonamides Dimethoxybenzenes Phenethylamines Benzenesulfonyl compounds Phenoxy compounds Anisoles Alkyl aryl ethers Aralkylamines Bromobenzenes Chlorobenzenes Organosulfonamides Aryl bromides Aryl chlorides Aminosulfonyl compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - 3-phenylpropanoic-acid - Benzenesulfonamide - Dimethoxybenzene - O-dimethoxybenzene - Phenethylamine - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Halobenzene - Aralkylamine - Bromobenzene - Alkyl aryl ether - Chlorobenzene - Benzenoid - Aryl chloride - Organosulfonic acid amide - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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