Compound Identification
SMILES
[Cl-].COC(=O)C1=CC=CC=C1NC(C(=O)O[C@H]1C[N+]2(CC(=O)C3=CC=CC=C3)CCC1CC2)C1=CN=C(OC)C=C1
InChIKey
InChIKey=FOPXILVZRIERGA-OWHZFCJYSA-N
Formula
C31H34ClN3O6
Mass
580.08
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
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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
Alkyl-phenylketones Aminobenzoic acids and derivatives Benzoic acid esters Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Phenylalkylamines Quinuclidines Secondary alkylarylamines Alkyl aryl ethers Piperidines Pyridines and derivatives Methyl esters Heteroaromatic compounds Alpha-amino ketones Vinylogous amides Tetraalkylammonium salts Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Alkyl-phenylketone - Aminobenzoic acid or derivatives - Benzoate ester - Phenylketone - Benzoic acid or derivatives - Quinuclidine - Aryl ketone - Aryl alkyl ketone - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Piperidine - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Tetraalkylammonium salt - Alpha-aminoketone - Methyl ester - Vinylogous amide - Quaternary ammonium salt - Carboxylic acid ester - Ketone - Secondary amine - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organic salt - Organic oxide - Organic chloride salt - Organic zwitterion - Amine - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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