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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-[(1r,3r,4ar,9as)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

Preferred term

2-[(1r,3r,4ar,9as)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C22H23FN2O6

inchi

  • InChI=1S/C22H23FN2O6/c1-29-20(27)10-13-9-15-14-8-12(6-7-18(14)31-21(15)19(11-26)30-13)24-22(28)25-17-5-3-2-4-16(17)23/h2-8,13,15,19,21,26H,9-11H2,1H3,(H2,24,25,28)/t13-,15-,19-,21+/m1/s1

inchikey

  • YVFPRJXGACQPOR-CKJDJMSUSA-N

mass

  • 430.427

monoisotopicmass

  • 430.15401

smiles

  • COC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:117445

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