Compound Identification
SMILES
Cl.CC(C)(CC1=C(CBr)CS(=O)[C@H]2C(N)C(=O)N12)C(O)=O
InChIKey
InChIKey=WVFHJGKUAVQDTK-LWTJHBJISA-N
Formula
C12H18BrClN2O4S
Mass
401.7
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
Cephems 1,3-thiazines Tertiary carboxylic acid amides Sulfoxides Amino acids Azetidines Sulfinyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Hydrochlorides Carbonyl compounds Monoalkylamines Organic oxides Organobromides Alkyl bromides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cephem - Meta-thiazine - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Amino acid - Carboxamide group - Sulfoxide - Lactam - Azacycle - Carboxylic acid - Organoheterocyclic compound - Sulfinyl compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Alkyl halide - Alkyl bromide - 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