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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-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-propylacetamide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C24H28FN3O5

inchi

  • InChI=1S/C24H28FN3O5/c1-2-9-26-22(30)12-17-11-19-18-10-16(7-8-20(18)33-23(19)21(13-29)32-17)28-24(31)27-15-5-3-14(25)4-6-15/h3-8,10,17,19,21,23,29H,2,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t17-,19+,21+,23-/m1/s1

inchikey

  • UMXSQZGGXDMCPL-QXPQREGVSA-N

mass

  • 457.496

monoisotopicmass

  • 457.20130

smiles

  • CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:122854

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