Compound Identification
SMILES
COC1=C(OC(C)C)C(Br)=CC(C=NNC(=O)CNC(=O)C2=CC3=C(OCO3)C=C2)=C1
InChIKey
InChIKey=KJLWAOVNQNSORE-UHFFFAOYSA-N
Formula
C21H22BrN3O6
Mass
492.326
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 Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Secondary carboxylic acid amides Oxacyclic compounds Acetals Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzodioxole - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Bromobenzene - Halobenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organobromide - Organonitrogen 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