Compound Identification
SMILES
OC(C(O)=O)C1=CC=CC=C1.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=CXFLPNNMYTVKBU-SBSPUUFOSA-N
Formula
C26H24F6N4O6
Mass
602.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Amphetamines and derivatives Aralkylamines Carbonylimidazoles Fluorobenzenes Alpha hydroxy acids and derivatives Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous amides Secondary alcohols Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Aromatic alcohols Organic oxides Organofluorides
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - Halobenzene - Aralkylamine - Fluorobenzene - Imidazole-4-carbonyl group - Alpha-hydroxy acid - Aryl fluoride - N-substituted imidazole - Aryl halide - Hydroxy acid - Monocyclic benzene moiety - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Amino acid - Secondary alcohol - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organonitrogen compound - Alkyl halide - Organooxygen compound - Primary amine - Carbonyl group - Aromatic alcohol - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organofluoride - Organohalogen compound - Organic nitrogen 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