Compound Identification
SMILES
Cl.ClC1=CC=CC=C1CN1CCN(CCC(=O)NC2CC(=O)C3=C(Br)SC(Br)=C23)CC1
InChIKey
InChIKey=DHUOCOXKEXGXPG-UHFFFAOYSA-N
Formula
C21H23Br2Cl2N3O2S
Mass
612.2
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
Phenylmethylamines Aryl alkyl ketones Benzylamines Aralkylamines N-alkylpiperazines Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous halides Thiophenes Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzylamine - Phenylmethylamine - Aryl ketone - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Piperazine - Benzenoid - Aryl bromide - Aryl chloride - Heteroaromatic compound - Thiophene - Vinylogous halide - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Ketone - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Amine - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - 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