Compound Identification
SMILES
COC(=O)CN(CC(=O)OC)C(=O)CN1N=C(OC1=O)C1=C(SCC=C)N=CC=C1
InChIKey
InChIKey=CGXDFFDYHYYUOS-UHFFFAOYSA-N
Formula
C18H20N4O7S
Mass
436.44
Taxonomic Classification
Taxonomy Tree
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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 Alpha amino acid esters
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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
Alpha amino acid esters
Alternative Parents
Alkylarylthioethers Pyridines and derivatives Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds 1,3,4-oxadiazoles Allyl sulfur compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Aryl thioether - Alkylarylthioether - Dicarboxylic acid or derivatives - Pyridine - 1,3,4-oxadiazole - Azole - Oxadiazole - Tertiary carboxylic acid amide - Methyl ester - Heteroaromatic compound - Carboxamide group - Allyl sulfur compound - Carboxylic acid ester - Sulfenyl compound - Thioether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Carbonyl group - 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