Compound Identification
SMILES
CC(CC1=NC(=CS1)C1=CC=C(C=C1)C#N)C(O)(CN1C=[N+](CC2=CC(C)=C(OC(=O)CCCN)C(C)=C2)C=N1)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=WCEQWRCQAKJHGD-UHFFFAOYSA-N
Formula
C36H37F2N6O3S
Mass
671.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
Gamma amino acids and derivatives
Alternative Parents
Phenol esters Phenylpropanes m-Xylenes Phenoxy compounds Benzonitriles 2,4-disubstituted thiazoles Fluorobenzenes Fatty acid esters Aryl fluorides Triazoles Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Organofluorides Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Aromatic alcohols Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gamma amino acid or derivatives - Phenol ester - Phenylpropane - Phenoxy compound - Benzonitrile - M-xylene - Xylene - 2,4-disubstituted 1,3-thiazole - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Thiazole - Tertiary alcohol - 1,2,4-triazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Primary amine - Organic nitrogen compound - Organohalogen compound - Primary aliphatic amine - Organofluoride - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organooxygen compound - Alcohol - Aromatic alcohol - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
External Descriptors
Not available