Compound Identification
SMILES
CCOC(=O)CN1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](CC1=CC(Br)=C(O)C=C1)OC(=O)N1CCC(CC1)N1CCC2=CC=CC=C2NC1=O
InChIKey
InChIKey=BBEKXBRXNQSJRC-MGBGTMOVSA-N
Formula
C37H49BrN6O7
Mass
769.738
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
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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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 acid esters
Alternative Parents
Piperidinecarboxylic acids N-acylpiperidines O-bromophenols 1-hydroxy-2-unsubstituted benzenoids Aminopiperidines N-alkylpiperazines Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Carbamate esters Ureas Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-piperidine - Piperidinecarboxylic acid - 2-bromophenol - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - 4-aminopiperidine - Phenol - Bromobenzene - N-alkylpiperazine - Halobenzene - Aryl bromide - Aryl halide - 1,4-diazinane - Piperidine - Benzenoid - Piperazine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carbamic acid ester - Carboxamide group - Carboxylic acid ester - Urea - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available