Compound Identification
SMILES
[Br-].[Br-].O=C(OCC1=CC=CC(COC(=O)[C@@H]2CCC[NH2+]2)=N1)[C@@H]1CCC[NH2+]1
InChIKey
InChIKey=WRAUXSVNKALUMK-WVFPUEBHSA-N
Formula
C17H25Br2N3O4
Mass
495.212
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
-
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
Proline and derivatives Pyrrolidine carboxylic acids Pyridines and derivatives Dicarboxylic acids and derivatives Quaternary ammonium salts Heteroaromatic compounds Carboxylic acid esters Dialkylamines Azacyclic compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid ester - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Organic salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic bromide salt - Organic cation - Aromatic heteromonocyclic 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