Compound Identification
SMILES
[B][B][B][B][B][B][B][B][B][B][B][B][S+]1CCN(CC1)C1=CC=C(CC(N)C(O)=O)C=C1
InChIKey
InChIKey=IDXYMLMEVJHNJC-UHFFFAOYSA-O
Formula
C13H18B12N2O2S
Mass
396.08
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
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Phenylalanine and derivatives
Alternative Parents
Phenylthiomorpholines Phenylpropanoic acids Alpha amino acids Amphetamines and derivatives Aniline and substituted anilines Dialkylarylamines Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic metalloid salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Monoalkylamines Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - 4-phenylthiomorpholine - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Monocyclic benzene moiety - 1,4-thiazinane - Benzenoid - Amino acid - Tertiary amine - Organic metalloid salt - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Primary amine - Carbonyl group - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available