Compound Identification
SMILES
FC1=CC(C2=NN(C(=O)C3CCCNC3)C3(CCOC4=CC=CC=C34)S2)=C(F)C=C1
InChIKey
InChIKey=CNFBVMFVESQHCT-UHFFFAOYSA-N
Formula
C22H21F2N3O2S
Mass
429.49
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
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
1-benzopyrans Piperidinecarboxamides Fluorobenzenes Alkyl aryl ethers Aryl fluorides Thiadiazolines Oxacyclic compounds Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Chromane - Benzopyran - 1-benzopyran - 3-piperidinecarboxamide - Piperidinecarboxamide - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Thiadiazoline - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available