Compound Identification
SMILES
OC(=O)C1=C(CSC2C(NCC3=CC=CC=C3)C(=O)N12)\C=C\C1=C(CCl)C=C2COC(Cl)=CC2=C1
InChIKey
InChIKey=LIDZGSCRRBEOJQ-VOTSOKGWSA-N
Formula
C26H22Cl2N2O4S
Mass
529.43
Taxonomic Classification
Taxonomy Tree
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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
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
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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
2-benzopyrans Cephems Styrenes Phenylmethylamines Benzylamines Aralkylamines 1,3-thiazines Tertiary carboxylic acid amides Tertiary amines Amino acids Azetidines Ketene acetals Vinyl chlorides Thiohemiaminal derivatives Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Chloroalkenes Carboxylic acids Alkyl chlorides Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Isochromene - Benzopyran - 2-benzopyran - Cephem - Benzylamine - Phenylmethylamine - Styrene - Aralkylamine - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Amino acid - Carboxamide group - Ketene acetal or derivatives - Lactam - Tertiary amine - Dialkylthioether - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Oxacycle - Hemithioaminal - Carboxylic acid - Azacycle - Secondary aliphatic amine - Thioether - Monocarboxylic acid or derivatives - Chloroalkene - Secondary amine - Haloalkene - Alkyl halide - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alkyl chloride - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic 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