Compound Identification
SMILES
NC(CC(=O)NCCO)C(O)=O.CC1=CC(OCCCC(C)(C)C(=O)OCCNC(=O)CC(N)C(N)=O)=C(C)C=C1
InChIKey
InChIKey=ZSWCMILYAYECST-UHFFFAOYSA-N
Formula
C27H45N5O9
Mass
583.683
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Asparagine 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
Direct Parent
Asparagine and derivatives
Alternative Parents
Alpha amino acid amides Alpha amino acids p-Xylenes Phenoxy compounds Phenol ethers N-acylethanolamines Alkyl aryl ethers Fatty acid esters N-acyl amines Fatty acids and conjugates Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids Carboxylic acid esters Carboxylic acids Monocarboxylic acids and derivatives Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Not available
Substituents
Asparagine or derivatives - Alpha-amino acid amide - Alpha-amino acid - Phenoxy compound - P-xylene - Xylene - N-acylethanolamine - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Fatty amide - N-acyl-amine - Amino acid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Alkanolamine - Carboxylic acid - Ether - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Alcohol - Amine - Organic oxide - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available