Compound Identification
SMILES
OC(C(O)C(O)=O)C(O)=O.COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)C2=CC=CC=N2)C(=O)N1)C1=CC(F)=C(F)C=C1)C(=O)OC
InChIKey
InChIKey=JZGFQNUZPKINEE-UQIIZPHYSA-N
Formula
C32H39F2N5O11
Mass
707.685
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Hydropyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Hydropyrimidines
Direct Parent
Hydropyrimidine carboxylic acids and derivatives
Alternative Parents
Aralkylamines Sugar acids and derivatives Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Pyrimidones Fluorobenzenes Alpha hydroxy acids and derivatives Aryl fluorides Pyridines and derivatives Piperidines Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Vinylogous amides Enoate esters Methyl esters Heteroaromatic compounds 1,2-diols Secondary alcohols Trialkylamines Amino acids and derivatives Ureas Dialkyl ethers Carboxylic acids Azacyclic compounds Organofluorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Hydropyrimidine carboxylic acid derivative - Pyrimidone - Short-chain hydroxy acid - Sugar acid - Halobenzene - Fluorobenzene - Aralkylamine - Beta-hydroxy acid - Benzenoid - Dicarboxylic acid or derivatives - Monosaccharide - Pyridine - Piperidine - Alpha-hydroxy acid - Fatty acid - Hydroxy acid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Heteroaromatic compound - 1,2-diol - Amino acid or derivatives - Carboxylic acid ester - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ether - Azacycle - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organofluoride - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group.
External Descriptors
Not available