Compound Identification
SMILES
CC(C)OC(=O)CN1C(=O)N(C)C(=O)N(C1=O)C1=C(Cl)C=C(F)C(=C1)N=C1SC(=O)N2CCCCN12
InChIKey
InChIKey=NCSPEVHEGWOEHK-UHFFFAOYSA-N
Formula
C21H22ClFN6O6S
Mass
540.95
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
Triazinones Fluorobenzenes Chlorobenzenes Pyridazines and derivatives 1,3,5-triazines Aryl chlorides Aryl fluorides Thiadiazoles Heteroaromatic compounds Ureas Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Halobenzene - Fluorobenzene - Chlorobenzene - Triazinone - Aryl chloride - Aryl fluoride - Aryl halide - Pyridazine - Triazine - 1,3,5-triazine - Monocyclic benzene moiety - Benzenoid - Thiadiazole - Heteroaromatic compound - Azole - Urea - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic 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