Compound Identification
SMILES
Cl.N[C@@H](CC(=O)N1CCCN(CC1)C(=O)C1=CC2=C(OCO2)C=C1)CC1=CC(F)=C(F)C=C1F
InChIKey
InChIKey=QQCXUNPCOVMAPG-PKLMIRHRSA-N
Formula
C23H25ClF3N3O4
Mass
499.92
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
Amphetamines and derivatives Benzodioxoles 1,4-diazepanes Aralkylamines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Acetals Hydrochlorides Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Organopnictogen compounds Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - Benzodioxole - 1,4-diazepane - Diazepane - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic oxide - Hydrochloride - Primary aliphatic 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