Compound Identification
SMILES
COC1=NC2=C(\C=C\[C@@H]3CC[C@@H](NC\C=C\C4=C(F)C=CC(F)=C4)[C@@H](CC(=O)NCCO)O3)C=CN=C2C=C1
InChIKey
InChIKey=TXALGLMMOCTFRM-MCLDETKNSA-N
Formula
C29H32F2N4O4
Mass
538.596
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
Pyranoid amino acids and derivatives
Alternative Parents
Gamma amino acids and derivatives Naphthyridines Styrenes N-acylethanolamines Alkyl aryl ethers Fluorobenzenes Aryl fluorides Pyridines and derivatives Oxanes Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Dialkylamines Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyranoid amino acid - Gamma amino acid or derivatives - Naphthyridine - Styrene - N-acylethanolamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Oxane - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Alkanolamine - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organofluoride - Carbonyl group - Organohalogen compound - Amine - Alcohol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.
External Descriptors
Not available