Compound Identification
SMILES
COC1=CC2=C(C=C1)C(CC(=O)N1CCCC1C(=O)OC(C)(C)C)=CC(=O)O2
InChIKey
InChIKey=YHXXQXSTSPQMGW-UHFFFAOYSA-N
Formula
C21H25NO6
Mass
387.432
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
-
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
Proline and derivatives Alpha amino acid esters Coumarins and derivatives 1-benzopyrans Pyrrolidine carboxylic acids N-acylpyrrolidines Anisoles Pyranones and derivatives Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Carboxylic acid esters Lactones Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - N-acyl-alpha-amino acid - Coumarin - Benzopyran - 1-benzopyran - Anisole - N-acylpyrrolidine - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Carboxamide group - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organooxygen 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