Compound Identification
SMILES
CCCC1=NC2=C(C=CC(=C2)N(CC2=CC=C(Cl)C=C2)S(=O)(=O)C2=CC=C(F)C=C2)N1CC(=O)OC(C)(C)C
InChIKey
InChIKey=UVJBXFZDDLAFFE-UHFFFAOYSA-N
Formula
C29H31ClFN3O4S
Mass
572.09
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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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
Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Benzimidazoles Chlorobenzenes Fluorobenzenes N-substituted imidazoles Aryl chlorides Organosulfonamides Aryl fluorides Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Benzimidazole - Fluorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - N-substituted imidazole - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Imidazole - Aminosulfonyl compound - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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