Compound Identification
SMILES
O[C@@H](CC[C@H]([C@H](NC1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C(=O)N1[C@H](COC1=O)C1=CC=CC=C1)C1=CC=C(F)C=C1
InChIKey
InChIKey=WYMDQBFNYMAMNK-LTXXGDHTSA-N
Formula
C33H30F2N2O5
Mass
572.609
Taxonomic Classification
Taxonomy Tree
-
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
Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids Fluorobenzenes Oxazolidinones Aryl fluorides Carbamate esters Dicarboximides Tertiary amines Secondary alcohols Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Aromatic alcohols Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Aniline or substituted anilines - Phenylalkylamine - Fluorobenzene - Halobenzene - Phenol - Secondary aliphatic/aromatic amine - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Benzenoid - Aryl fluoride - Oxazolidinone - Monocyclic benzene moiety - Carbamic acid ester - Oxazolidine - Dicarboximide - Tertiary amine - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Secondary amine - Azacycle - Organic oxide - Organofluoride - Organohalogen compound - Amine - Alcohol - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic alcohol - Hydrocarbon derivative - 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