Compound Identification
SMILES
COC1=C\C(=C/NNC(=O)CNC(=O)C2=CC3=C(OCO3)C=C2)C=C(Br)C1=O
InChIKey
InChIKey=BSQJDGULWXNGGJ-YFHOEESVSA-N
Formula
C18H16BrN3O6
Mass
450.245
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Benzodioxoles P-quinomethanes Benzenoids Alpha-haloketones Secondary carboxylic acid amides Carboxylic acid hydrazides Acetals Vinyl bromides Oxacyclic compounds Bromoalkenes Aldehydes Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzodioxole - P-quinomethane - Quinomethane - Benzenoid - Alpha-haloketone - Carboxamide group - Carboxylic acid hydrazide - Ketone - Secondary carboxylic acid amide - Cyclic ketone - Oxacycle - Vinyl halide - Vinyl bromide - Bromoalkene - Haloalkene - Organoheterocyclic compound - Acetal - Carbonyl group - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available