Compound Identification
SMILES
OC1=C(Br)C=C(C=C2SC(=O)N(CC(=O)N3CCCCCC3)C2=O)C=C1I
InChIKey
InChIKey=KJBGFXOASSNLBB-UHFFFAOYSA-N
Formula
C18H18BrIN2O4S
Mass
565.22
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
O-iodophenols O-bromophenols Thiazolidinediones Azepanes Bromobenzenes Iodobenzenes Aryl bromides Aryl iodides Tertiary carboxylic acid amides Dicarboximides Thiocarbamic acid derivatives Organic carbonic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organoiodides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - 2-halophenol - 2-bromophenol - 2-iodophenol - Azepane - Iodobenzene - Thiazolidinedione - Halobenzene - Phenol - Bromobenzene - Aryl bromide - Aryl halide - Aryl iodide - Benzenoid - Monocyclic benzene moiety - Thiazolidine - Tertiary carboxylic acid amide - Dicarboximide - Carbonic acid derivative - Thiocarbamic acid derivative - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organoiodide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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