Compound Identification
SMILES
CCOC(=O)C[C@H]([NH+]1CC[NH+](C)CC1)C(=O)OCC
InChIKey
InChIKey=LRXBAOLTTOXDJJ-NSHDSACASA-P
Formula
C13H26N2O4
Mass
274.36
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 Aspartic acid and derivatives
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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
Direct Parent
Aspartic acid and derivatives
Alternative Parents
Alpha amino acid esters N-methylpiperazines Fatty acid esters Dicarboxylic acids and derivatives Quaternary ammonium salts Trialkylamines Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Aspartic acid or derivatives - Alpha-amino acid ester - Fatty acid ester - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Fatty acyl - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic cation - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available