Compound Identification
SMILES
CC(C)(C)OC(=O)N1C=C(C[C@@H](NC(=O)C(=O)C2=CC(Cl)=C(O)C(Cl)=C2)C(O)=O)C2=C1C=C(C=C2)B1OC(C)(C)C(C)(C)O1
InChIKey
InChIKey=CPFQEJVPYKRXST-OAQYLSRUSA-N
Formula
C30H33BCl2N2O9
Mass
647.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
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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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Indolecarboxylic acids Phenylacetamides 3-alkylindoles Pyrrole carboxylic acids and derivatives Aryl ketones Benzoyl derivatives Dichlorobenzenes O-chlorophenols Substituted pyrroles Aryl chlorides Boronic acid esters Dioxaborolanes Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carboxylic acids Organic metalloid salts Monocarboxylic acids and derivatives Organic oxides Organometalloid compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Indolecarboxylic acid - Indolecarboxylic acid derivative - Phenylacetamide - 3-alkylindole - Indole - Indole or derivatives - Benzoyl - 1,3-dichlorobenzene - 2-halophenol - 2-chlorophenol - Pyrrole-1-carboxylic acid or derivatives - Aryl ketone - Phenol - Halobenzene - Chlorobenzene - Substituted pyrrole - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyrrole - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid ester - Secondary carboxylic acid amide - Boronic acid derivative - Ketone - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic metalloid salt - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available