Compound Identification
SMILES
CC[C@]1(OC)[C@H]2SC(CBr)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C
InChIKey
InChIKey=WBIJRUMCFUYSQW-CZUORRHYSA-N
Formula
C16H22BrNO6S
Mass
436.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
Thiazolecarboxylic acids and derivatives Penems Acylals Vinylogous thioesters Dicarboxylic acids and derivatives Thiazolines Tertiary carboxylic acid amides Enoate esters Thioenol ethers Azetidines Thiohemiaminal derivatives Acetals Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Alkyl bromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Penem - Thiazolecarboxylic acid or derivatives - Acylal - Dicarboxylic acid or derivatives - Vinylogous thioester - Beta-lactam - Tertiary carboxylic acid amide - Thiazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Meta-thiazoline - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Thioenolether - Hemithioaminal - Organoheterocyclic compound - Azacycle - Acetal - Dialkyl ether - Ether - Organic nitrogen compound - Alkyl halide - Organopnictogen compound - Organohalogen compound - Alkyl bromide - Carbonyl group - Organic oxygen compound - Organobromide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Aliphatic heteropolycyclic 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