Compound Identification
SMILES
COC1=C(OC)C2=C(C=C1)C(C)=C(CC(=O)NC(C(O)=O)C1=CC=C(O)C=C1)C(=O)O2
InChIKey
InChIKey=ILTMZFUUXUXXFC-UHFFFAOYSA-N
Formula
C22H21NO8
Mass
427.409
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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Level 6
Alpha amino acids and derivatives
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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
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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
Coumarins and derivatives 1-benzopyrans Anisoles Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Carboxamide group - Lactone - Secondary carboxylic acid amide - Carboxylic acid - Oxacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxide - Organooxygen compound - 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