Compound Identification
SMILES
COC1=C(OC)C=C(C(N2CCCCC2C(O)=O)C2=CC3=C(OCO3)C=C2)C(Br)=C1
InChIKey
InChIKey=KMOZAJRLFKZRHU-UHFFFAOYSA-N
Formula
C22H24BrNO6
Mass
478.339
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
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acids
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acids
Alternative Parents
Dimethoxybenzenes Piperidinecarboxylic acids Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers Aralkylamines Bromobenzenes Aryl bromides Trialkylamines Amino acids Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organopnictogen compounds Organobromides Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid - Dimethoxybenzene - O-dimethoxybenzene - Benzodioxole - Piperidinecarboxylic acid - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Amino acid - Organoheterocyclic compound - Acetal - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid - Organic oxygen compound - Carbonyl group - Organic oxide - Amine - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
External Descriptors
Not available