Compound Identification
SMILES
OC(=O)C1=CC=CC=C1O.N[C@@H](CC(=O)N1CCN2C(C1)=C(N=C2C(F)(F)F)C(O)=O)CC1=CC(F)=C(F)C=C1F
InChIKey
InChIKey=BLXCFFKYDPQWME-SBSPUUFOSA-N
Formula
C25H22F6N4O6
Mass
588.463
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Amphetamines and derivatives Salicylic acids Benzoic acids Benzoyl derivatives Carbonylimidazoles Aralkylamines Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous amides Vinylogous acids Amino acids Tertiary amines Carboxylic acids Azacyclic compounds Organofluorides Hydrocarbon derivatives Monoalkylamines Alkyl fluorides Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - Salicylic acid or derivatives - Salicylic acid - Hydroxybenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Aralkylamine - Imidazole-4-carbonyl group - Aryl fluoride - N-substituted imidazole - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Tertiary carboxylic acid amide - Imidazole - Amino acid - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxygen compound - Alkyl fluoride - Organic oxide - Primary aliphatic amine - Primary amine - 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