Compound Identification
SMILES
CC1=CC(CCN2CCOCC2)=C(NC(=O)C2CNC3=C(O2)C=CC(OC(F)(F)F)=C3)C=C1
InChIKey
InChIKey=QDOFTZWQDRWSKS-UHFFFAOYSA-N
Formula
C23H26F3N3O4
Mass
465.473
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
-
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
Benzomorpholines Benzoxazines Anilides Phenethylamines N-arylamides Phenol ethers Alkyl aryl ethers Toluenes Aralkylamines Secondary alkylarylamines Secondary carboxylic acid amides Trialkylamines Trihalomethanes Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzomorpholine - Benzoxazine - Phenethylamine - Anilide - Phenol ether - N-arylamide - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Oxazinane - Morpholine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Trihalomethane - Carboxamide group - Azacycle - Oxacycle - Secondary amine - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Halomethane - Alkyl fluoride - Amine - Alkyl halide - 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