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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 > amino acid amide > n-[(2s,3r,6s)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > amino acid amide > n-[(2s,3r,6s)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
organooxygen compound > carboxamide > amino acid amide > n-[(2s,3r,6s)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > amino acid amide > n-[(2s,3r,6s)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide

Preferred term

n-[(2s,3r,6s)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30F2N4O5

inchi

  • InChI=1S/C21H30F2N4O5/c22-14-1-3-16(23)18(11-14)26-21(30)24-6-5-15-2-4-17(19(13-28)32-15)25-20(29)12-27-7-9-31-10-8-27/h1,3,11,15,17,19,28H,2,4-10,12-13H2,(H,25,29)(H2,24,26,30)/t15-,17+,19+/m0/s1

inchikey

  • ULTMRAJJWBMPBO-KVSKMBFKSA-N

mass

  • 456.484

monoisotopicmass

  • 456.21843

smiles

  • C1C[C@H]([C@H](O[C@@H]1CCNC(=O)NC2=C(C=CC(=C2)F)F)CO)NC(=O)CN3CCOCC3

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:122386

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