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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-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H27FN4O5

inchi

  • InChI=1S/C27H27FN4O5/c28-21-3-1-2-4-22(21)32-27(35)31-17-5-6-23-19(11-17)20-12-18(36-24(15-33)26(20)37-23)13-25(34)30-14-16-7-9-29-10-8-16/h1-11,18,20,24,26,33H,12-15H2,(H,30,34)(H2,31,32,35)/t18-,20+,24+,26-/m1/s1

inchikey

  • UYPIQWDIZXMNDJ-SNXCTZGFSA-N

mass

  • 506.527

monoisotopicmass

  • 506.19655

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=CC=NC=C5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:117358

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