Compound Identification
SMILES
COC1=C(OCC2=C(Cl)C=C(Cl)C=C2)C=CC(C=NNC(=O)C(NC(=O)C2=CC3=C(OCO3)C=C2)C(C)C)=C1
InChIKey
InChIKey=XAQYGLBBYLCDIQ-UHFFFAOYSA-N
Formula
C28H27Cl2N3O6
Mass
572.44
Taxonomic Classification
Taxonomy Tree
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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
Valine and derivatives Benzodioxoles Anisoles Dichlorobenzenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aryl chlorides Secondary carboxylic acid amides Acetals Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - N-acyl-alpha amino acid or derivatives - Benzodioxole - 1,3-dichlorobenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Acetal - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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