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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > proteinogenic amino acid derivative > glycine derivative > ixazomib citrate
... > organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid > oxo dicarboxylic acid > ixazomib citrate
... > organooxygen compound > carbon oxoacid > carboxylic acid > dicarboxylic acid > oxo dicarboxylic acid > ixazomib citrate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid > oxo dicarboxylic acid > ixazomib citrate
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid > oxo dicarboxylic acid > ixazomib citrate
... > organooxygen compound > carbonyl compound > carboxylic acid > oxo carboxylic acid > oxo dicarboxylic acid > ixazomib citrate
... > organooxygen compound > carbon oxoacid > carboxylic acid > oxo carboxylic acid > oxo dicarboxylic acid > ixazomib citrate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > oxo carboxylic acid > oxo dicarboxylic acid > ixazomib citrate
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > oxo carboxylic acid > oxo dicarboxylic acid > ixazomib citrate
organochlorine compound > chlorobenzenes > dichlorobenzene > ixazomib citrate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > ixazomib citrate
... > organooxygen compound > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > ixazomib citrate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > ixazomib citrate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > boron group molecular entity > boron molecular entity > boronate > boronate ester > 1,3,2-dioxaborolane > ixazomib citrate

Preferred term

ixazomib citrate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H23BCl2N2O9

has_functional_parent

has_role

inchi

  • InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-19(32)20(34-21,7-16(27)28)8-17(29)30)25-15(26)9-24-18(31)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,31)(H,25,26)(H,27,28)(H,29,30)/t14-/m0/s1

inchikey

  • MBOMYENWWXQSNW-AWEZNQCLSA-N

mass

  • 517.122

monoisotopicmass

  • 516.08737

smiles

  • C(NCC(N[C@@H](CC(C)C)B1OC(C(O1)(CC(=O)O)CC(=O)O)=O)=O)(C2=CC(=CC=C2Cl)Cl)=O

subset

  • 3_STAR

synonym EXACT

  • 2,2'-{2-[(1R)-1-{[N-(2,5-dichlorobenzoyl)glycyl]amino}-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diacetic acid

synonym RELATED

  • MLN 9708
  • MLN9708
  • NINLARO

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:90939

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