Compound Identification
SMILES
COC1=CC(C)=CC2=C1C(C)=C(CC(=O)NC(CCCCNC(N)=O)C(O)=O)C(=O)O2
InChIKey
InChIKey=JUWDLUWPZOGUNB-UHFFFAOYSA-N
Formula
C21H27N3O7
Mass
433.461
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
Coumarins and derivatives 1-benzopyrans Anisoles Medium-chain fatty acids Pyranones and derivatives Alkyl aryl ethers Amino fatty acids Heterocyclic fatty acids Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactones Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Coumarin - Benzopyran - 1-benzopyran - Anisole - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Heterocyclic fatty acid - Pyranone - Benzenoid - Pyran - Fatty acyl - Fatty acid - Heteroaromatic compound - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - 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