Compound Identification
SMILES
CC(N(CCN[C@@H](CC(O)=O)CC1=CNC2=CC=CC=C12)C(=O)OC(C)(C)C)C1=CC=CC=C1F
InChIKey
InChIKey=SOINHZACCITRHX-ROPPNANJSA-N
Formula
C27H34FN3O4
Mass
483.584
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
3-alkylindoles Amino fatty acids Aralkylamines Fluorobenzenes Substituted pyrroles Aryl fluorides Heteroaromatic compounds Carbamate esters Amino acids Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Organic oxides Organofluorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Amino fatty acid - Halobenzene - Fluorobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Substituted pyrrole - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyrrole - Heteroaromatic compound - Carbamic acid ester - Amino acid - Azacycle - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - 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