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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 2-[(1s,3s,4as,9ar)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(2,5-difluorophenyl)methyl]acetamide

Preferred term

2-[(1s,3s,4as,9ar)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(2,5-difluorophenyl)methyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C28H26F3N3O5

inchi

  • InChI=1S/C28H26F3N3O5/c29-16-5-7-21(30)15(9-16)13-32-26(36)12-18-11-20-19-10-17(6-8-24(19)39-27(20)25(14-35)38-18)33-28(37)34-23-4-2-1-3-22(23)31/h1-10,18,20,25,27,35H,11-14H2,(H,32,36)(H2,33,34,37)/t18-,20-,25-,27+/m0/s1

inchikey

  • RACQFZFWZFTGGO-ZLCUHAMRSA-N

mass

  • 541.519

monoisotopicmass

  • 541.18246

smiles

  • C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=C(C=CC(=C5)F)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127509

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