Compound Identification
SMILES
OC(=O)C[C@H](NC(=O)C1=CC=C(CNS(=O)(=O)C2=CC(C(O)=O)=C(O)C=C2)C=C1)C(=O)COC1=C(F)C(F)=CC(F)=C1F
InChIKey
InChIKey=NLXBLTHXOSQPCX-SFHVURJKSA-N
Formula
C26H20F4N2O10S
Mass
628.5
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
Salicylic acids Benzenesulfonamides Benzenesulfonyl compounds Benzoic acids Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Gamma-keto acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fluorobenzenes Organosulfonamides Monosaccharides Aryl fluorides Aminosulfonyl compounds Vinylogous acids Secondary carboxylic acid amides Ketones Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Salicylic acid or derivatives - Salicylic acid - Benzenesulfonamide - Hydroxybenzoic acid - Benzenesulfonyl group - Benzamide - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Gamma-keto acid - Benzoyl - Halobenzene - Fluorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Aryl fluoride - Aryl halide - Benzenoid - Keto acid - Monosaccharide - Organosulfonic acid amide - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Vinylogous acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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