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(Br)C=C2)C=C1
InChIKey
InChIKey=MSNZOPWYNYMXNP-UHFFFAOYSA-N
Formula
C36H40Br2N2O8S
Mass
820.59
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 Dimethoxybenzenes Benzenesulfonamides Phenethylamines Benzenesulfonyl compounds Phenoxy compounds Anisoles Alkyl aryl ethers Aralkylamines Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - 3-phenylpropanoic-acid - Benzenesulfonamide - O-dimethoxybenzene - Dimethoxybenzene - Benzenesulfonyl group - Phenethylamine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aralkylamine - Benzenoid - Organosulfonic acid amide - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Amino acid - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Organohalogen 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