Compound Identification
SMILES
NC(=O)CCNC(=O)C1=CC(OC2=C(Br)C=CC(F)=C2)C(O)C(O)C1
InChIKey
InChIKey=HOYPSFHQAFDCMU-UHFFFAOYSA-N
Formula
C16H18BrFN2O5
Mass
417.231
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
-
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Cyclitols and derivatives Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides 1,2-diols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Cyclitol or derivatives - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - 1,2-diol - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Organofluoride - 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