Compound Identification
SMILES
COC(=O)C[C@H](NC(=O)CN1C=C(F)C(=O)NC1=O)C(=O)OC
InChIKey
InChIKey=VJYMQKRROMRBBM-ZETCQYMHSA-N
Formula
C12H14FN3O7
Mass
331.256
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-acyl-alpha amino acids and derivatives Pyrimidones Fatty acid methyl esters Halopyrimidines Aryl fluorides Dicarboxylic acids and derivatives Hydropyrimidines Vinylogous amides Methyl esters Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Organofluorides Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aspartic acid or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Halopyrimidine - Fatty acid ester - Pyrimidone - Fatty acid methyl ester - Aryl fluoride - Hydropyrimidine - Aryl halide - Pyrimidine - Dicarboxylic acid or derivatives - Fatty acyl - Heteroaromatic compound - Methyl ester - Vinylogous amide - Secondary carboxylic acid amide - Urea - Carboxylic acid ester - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic 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