Compound Identification
SMILES
Cl.CS(=O)(=O)OC1=CC(CN2CCC(N)C2=O)=C(Br)C=C1
InChIKey
InChIKey=JWMZZHUKFRCEEV-UHFFFAOYSA-N
Formula
C12H16BrClN2O4S
Mass
399.68
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
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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
Alpha amino acids and derivatives
Alternative Parents
Phenoxy compounds Bromobenzenes Aryl bromides N-alkylpyrrolidines Organosulfonic acid esters Pyrrolidine-2-ones Sulfonic acid esters Methanesulfonates Tertiary carboxylic acid amides Sulfonyls Lactams Azacyclic compounds Organobromides Organic oxides Monoalkylamines Hydrochlorides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Phenoxy compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Sulfonic acid ester - Organosulfonic acid ester - N-alkylpyrrolidine - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Pyrrolidine - Sulfonyl - Methanesulfonate - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Primary amine - Organic nitrogen compound - Carbonyl group - Amine - Hydrochloride - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available