Compound Identification
SMILES
CC(C)(C)OC(=O)C1=C[C@@H](Br)[C@@H](O)[C@@H]2[C@H](N=[N+]=[N-])C(=O)N12
InChIKey
InChIKey=QULQTAXGXBXKQX-RSWFSCQZSA-N
Formula
C12H15BrN4O4
Mass
359.18
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
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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
Alpha amino acids and derivatives
Alternative Parents
Tetrahydropyridines Tertiary carboxylic acid amides Beta lactams Enoate esters Secondary alcohols Azetidines Azo compounds Azo imides Bromohydrins Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Tetrahydropyridine - Beta-lactam - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azetidine - Azo compound - Azo imide - Bromohydrin - Carboxamide group - Carboxylic acid ester - Halohydrin - Lactam - Secondary alcohol - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Organic zwitterion - Alkyl bromide - Alkyl halide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available