Compound Identification
SMILES
OC(=O)C[C@H](NC(=O)C1=CC=CC=C1NC(=O)OCC1=CC=CC=C1)C(=O)CF
InChIKey
InChIKey=LJIGXMGGDXEACP-INIZCTEOSA-N
Formula
C20H19FN2O6
Mass
402.378
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
Phenylcarbamic acid esters Benzyloxycarbonyls Benzamides Benzoyl derivatives Gamma-keto acids and derivatives Vinylogous amides Alpha-haloketones Carbamate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylcarbamic acid ester - Beta amino acid or derivatives - Benzyloxycarbonyl - Benzamide - Benzoic acid or derivatives - Benzoyl - Gamma-keto acid - Monocyclic benzene moiety - Keto acid - Benzenoid - Carbamic acid ester - Alpha-haloketone - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Ketone - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aromatic homomonocyclic 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