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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C25H28FN3O5

inchi

  • InChI=1S/C25H28FN3O5/c26-19-3-1-2-4-20(19)29-25(32)28-15-7-8-21-17(9-15)18-10-16(33-22(13-30)24(18)34-21)11-23(31)27-12-14-5-6-14/h1-4,7-9,14,16,18,22,24,30H,5-6,10-13H2,(H,27,31)(H2,28,29,32)/t16-,18+,22+,24-/m1/s1

inchikey

  • HFXZOAOZNJYYEY-CXJARPSQSA-N

mass

  • 469.506

monoisotopicmass

  • 469.20130

smiles

  • C1CC1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:117394

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