Compound Identification
SMILES
[Zr+4].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.COC(=O)[C@@H](NC(=O)[C@@H]([N-]C(C)=O)C(C)C)C(C)C.C1=CC=C(C=C1)[B-](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=UBDBMBUOWQHQPS-UXDXUJKSSA-M
Formula
C47H53BN2O4Zr
Mass
811.98
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
Valine and derivatives Alpha amino acid esters Fatty acid esters Benzene and substituted derivatives N-acyl amines Methyl esters Secondary carboxylic acid amides Carbene-type 1,3-dipolar compounds Cycloalkenes Organic transition metal salts Organic metalloid salts Monocarboxylic acids and derivatives Unsaturated aliphatic hydrocarbons Hydrocarbon derivatives Organic oxides Organometalloid compounds Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic cations
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Fatty acid ester - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Cyclic olefin - Cycloalkene - Monocarboxylic acid or derivatives - Organic metalloid salt - Organic transition metal salt - Carbene-type 1,3-dipolar compound - Organic metalloid moeity - Olefin - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Unsaturated hydrocarbon - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic salt - Unsaturated aliphatic hydrocarbon - Hydrocarbon - Organic cation - Aromatic homomonocyclic 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