Compound Identification
SMILES
CC(C)(C)N(C(CC(=O)NC1=NC=C2C=CC(=CC2=C1)C1=CNN=C1)C1=C(F)C=CC=C1F)C(O)=O
InChIKey
InChIKey=IXTHHLYCHMJMMV-UHFFFAOYSA-N
Formula
C26H25F2N5O3
Mass
493.515
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
Isoquinolines and derivatives N-arylamides Fluorobenzenes Aryl fluorides Fatty amides Imidolactams Pyridines and derivatives Heteroaromatic compounds Pyrazoles Carbamic acids Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Isoquinoline - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Imidolactam - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Secondary carboxylic acid amide - Carbamic acid - Carbamic acid derivative - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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