Compound Identification
SMILES
CCC[C@](O)(C(O)=O)C1=C(NC2=C(Cl)C=CC=C2Cl)[C@](O)(CC=C1)C(=O)NCC(C)(C)SN=O
InChIKey
InChIKey=GVZQISBRMKJPOL-FGZHOGPDSA-N
Formula
C22H27Cl2N3O6S
Mass
532.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
Monocyclic monoterpenoids Aromatic monoterpenoids Aniline and substituted anilines Dichlorobenzenes Alpha hydroxy acids and derivatives Aryl chlorides Tertiary alcohols Secondary carboxylic acid amides Nitrosothiols Sulfenyl compounds Monocarboxylic acids and derivatives Enamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Aniline or substituted anilines - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Tertiary alcohol - Organic s-nitroso compound - Nitrosothiol-group - Nitrosothiol - Carboxamide group - Secondary carboxylic acid amide - Organic nitroso compound - Monocarboxylic acid or derivatives - Carboxylic acid - Enamine - Sulfenyl compound - Organochloride - Alcohol - Organosulfur compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Organohalogen compound - Aromatic homomonocyclic 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