Compound Identification
SMILES
Cl.CCOC(=O)C(N)CN1C=C(N(CCCl)CCCl)C(=O)NC1=O
InChIKey
InChIKey=IFVRPPWOPZNAKO-UHFFFAOYSA-N
Formula
C13H21Cl3N4O4
Mass
403.69
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 Alpha amino acid esters
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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
Alpha amino acid esters
Alternative Parents
Dialkylarylamines Nitrogen mustard compounds Aminopyrimidines and derivatives Pyrimidones Hydropyrimidines Heteroaromatic compounds Vinylogous amides Lactams Ureas Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Monoalkylamines Alkyl chlorides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Nitrogen mustard - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Lactam - Urea - Tertiary amine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Alkyl halide - Primary aliphatic amine - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organooxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available