Compound Identification
SMILES
COC(=O)C1=CC=C(CN2CCCN(CC2)C(=O)C2=C(OC)C=C(SC)C=C2)O1
InChIKey
InChIKey=KQKHRUNDDGJRCO-UHFFFAOYSA-N
Formula
C21H26N2O5S
Mass
418.51
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
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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
P-sulfanylbenzoic acids and derivatives Benzamides Furoic acid esters Anisoles Benzoyl derivatives Thiophenol ethers Methoxybenzenes Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Aralkylamines 1,4-diazepanes Methyl esters Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furanoid amino acid - P-sulfanylbenzoic acid or derivatives - Furoic acid ester - Benzamide - Benzoic acid or derivatives - Phenol ether - Furoic acid or derivatives - Phenoxy compound - Aryl thioether - Anisole - Thiophenol ether - Methoxybenzene - Benzoyl - 1,4-diazepane - Alkyl aryl ether - Diazepane - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Methyl ester - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Ether - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Thioether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organosulfur 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