Compound Identification
SMILES
COC(=O)C1=CC=C(CN2CCCN(CC2)C(=O)C2=C(Cl)SC(Cl)=C2)O1
InChIKey
InChIKey=BYVDLZAUAMIKEH-UHFFFAOYSA-N
Formula
C17H18Cl2N2O4S
Mass
417.3
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives - Sugar amino acids and derivatives
Direct Parent
Furanoid amino acids and derivatives
Alternative Parents
Furoic acid esters Thiophene carboxamides 2,3,5-trisubstituted thiophenes 1,4-diazepanes Aralkylamines Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furanoid amino acid - Furoic acid ester - Furoic acid or derivatives - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - 1,4-diazepane - Diazepane - Aralkylamine - Aryl halide - Aryl chloride - Furan - Vinylogous halide - Tertiary carboxylic acid amide - Thiophene - Methyl ester - Heteroaromatic compound - Carboxamide group - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as furanoid amino acids and derivatives. These are sugar amino acids containing a furan ring.
External Descriptors
Not available