Compound Identification
SMILES
N[C@H]1[C@H]2CCC(C3=CSC(=N3)C3=CC=C(F)C=C3)=C(N2C1=O)C(=O)OCC=C
InChIKey
InChIKey=KQPXNRDCWVKEFP-CVEARBPZSA-N
Formula
C20H18FN3O3S
Mass
399.44
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
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Tetrahydropyridines 2,4-disubstituted thiazoles Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Beta lactams Enoate esters Heteroaromatic compounds Azetidines Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Tetrahydropyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Beta-lactam - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Thiazole - Enoate ester - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organofluoride - Primary aliphatic amine - Organohalogen compound - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available