Compound Identification
SMILES
OC(=O)CCNC(=O)C1=CC=C(CNC2=NC(=C(S2)C2=CC=C(C=C2)C2CCCCC2)C2=CC=C(OC(F)(F)F)C=C2)C=C1
InChIKey
InChIKey=JSRTWLVTKOUNEY-UHFFFAOYSA-N
Formula
C33H32F3N3O4S
Mass
623.69
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 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
Benzamides Phenoxy compounds Phenol ethers 2,4,5-trisubstituted thiazoles Benzoyl derivatives Benzylamines 2-amino-1,3-thiazoles Heteroaromatic compounds Trihalomethanes Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organofluorides Amines Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Benzoyl - Benzylamine - Phenol ether - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Thiazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Trihalomethane - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Alkyl fluoride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Halomethane - Organofluoride - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Alkyl halide - Aromatic heteromonocyclic 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