Compound Identification
SMILES
COC(=O)C1=CC=C(CN2CCCN(CC3=CC=C(Br)S3)CC2)O1
InChIKey
InChIKey=AARDSOPHUQFQAC-UHFFFAOYSA-N
Formula
C17H21BrN2O3S
Mass
413.33
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
-
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 Aralkylamines 2,5-disubstituted thiophenes 1,4-diazepanes Aryl bromides Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furanoid amino acid - Furoic acid ester - Furoic acid or derivatives - 1,4-diazepane - Diazepane - Aralkylamine - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Furan - Methyl ester - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organic nitrogen compound - 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