Compound Identification
SMILES
COC(=O)[C@H](NC(=O)C1=C[C@@H](NC(=O)COCC([O-])=O)[C@@H](O)[C@H](O)C1)C(C)C
InChIKey
InChIKey=LQKMEMWVDDAXTM-YIKOMLBNSA-M
Formula
C17H25N2O9
Mass
401.393
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 Dicarboxylic acids and derivatives Methyl esters Secondary carboxylic acid amides Secondary alcohols 1,2-diols Carboxylic acid salts Carboxylic acids Dialkyl ethers Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic anions
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Methyl ester - 1,2-diol - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Secondary alcohol - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alcohol - Organic anion - Aliphatic 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