Compound Identification
SMILES
CCOC1=C(OCC)C(I)=CC(C=NNC(=O)CCNC(=O)C2=CC=CC=C2F)=C1
InChIKey
InChIKey=ZQEJWLXBDXPEAL-UHFFFAOYSA-N
Formula
C21H23FIN3O4
Mass
527.335
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
-
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
2-halobenzoic acids and derivatives Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Iodobenzenes Fluorobenzenes Alkyl aryl ethers N-acyl amines Vinylogous halides Vinyl iodides Vinyl fluorides Iodoalkenes Fluoroalkenes Carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - Benzoyl - Iodobenzene - Halobenzene - Fluorobenzene - Alkyl aryl ether - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Vinylogous halide - Carboxamide group - Iodoalkene - Fluoroalkene - Haloalkene - Vinyl iodide - Vinyl halide - Vinyl fluoride - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organofluoride - Organohalogen compound - 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