Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.CC[C@@H](NC(=O)C1=C(F)C=C(C=C1)C(\N)=[N+]1\CCSC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1
InChIKey
InChIKey=RSPYIZJTDKYJQV-VEIFNGETSA-N
Formula
C27H36F4N4O6S
Mass
620.66
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 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides N-acylpiperidines Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Thiazolidines Tertiary carboxylic acid amides Alpha-halocarboxylic acids Secondary carboxylic acid amides Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxamidines Carboximidamides Carboxylic acids Dialkylthioethers Carbonyl compounds Organic zwitterions Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - N-acyl-piperidine - Benzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Monocyclic benzene moiety - Piperidine - Benzenoid - Aryl halide - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Vinylogous halide - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid salt - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Amidine - Carboxylic acid amidine - Carboxylic acid - Thioether - Carboximidamide - Alkyl fluoride - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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