Compound Identification
SMILES
COC(=O)CN1C(SC2=C1C=CC(F)=C2)=NC(=O)C1=CC=C(C=C1)S(=O)(=O)N1CCC2=CC=CC=C2C1
InChIKey
InChIKey=ZVRXNZKBNJHWMN-UHFFFAOYSA-N
Formula
C26H22FN3O5S2
Mass
539.6
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
-
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
Tetrahydroisoquinolines Benzenesulfonamides Benzenesulfonyl compounds Benzoic acids and derivatives Benzothiazoles Benzoyl derivatives Organosulfonamides Aryl fluorides Thiazoles Sulfonyls Methyl esters Heteroaromatic compounds Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzenesulfonamide - Tetrahydroisoquinoline - Benzenesulfonyl group - Benzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - Methyl ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiazole - Sulfonyl - Isothiourea - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organofluoride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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