Compound Identification
SMILES
COC(=O)C1=C(CN2C[C@@H](F)C[C@H]2C(O)=O)NC(=N[C@@]1(C)C1=CC=C(F)C=C1)C1=NC=CS1
InChIKey
InChIKey=LXRZSOWLURJOMV-DDVAMESESA-N
Formula
C22H22F2N4O4S
Mass
476.5
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 Proline and derivatives
-
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
Proline and derivatives
Alternative Parents
L-alpha-amino acids Pyrrolidine carboxylic acids Fluorobenzenes Dicarboxylic acids and derivatives Hydropyrimidines Imidolactams Aryl fluorides N-alkylpyrrolidines Vinylogous amides Enoate esters Heteroaromatic compounds Thiazoles Methyl esters Trialkylamines Amino acids Carboxylic acids Carboximidamides Azacyclic compounds Carboxamidines Propargyl-type 1,3-dipolar organic compounds Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid - L-alpha-amino acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - N-alkylpyrrolidine - Benzenoid - Hydropyrimidine - Imidolactam - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Thiazole - Methyl ester - Azole - Pyrrolidine - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Amino acid - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Amidine - Carboximidamide - Carboxylic acid amidine - Carboxylic acid - Azacycle - Enamine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alkyl halide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available