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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-[(2s,3s,6r)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2h-pyran-6-yl]acetic acid methyl ester

Preferred term

2-[(2s,3s,6r)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2h-pyran-6-yl]acetic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C17H19F3N2O5

inchi

  • InChI=1S/C17H19F3N2O5/c1-26-15(24)8-12-6-7-13(14(9-23)27-12)22-16(25)21-11-4-2-10(3-5-11)17(18,19)20/h2-7,12-14,23H,8-9H2,1H3,(H2,21,22,25)/t12-,13-,14+/m0/s1

inchikey

  • PYGNPVIZRZQEAZ-MELADBBJSA-N

mass

  • 388.339

monoisotopicmass

  • 388.12461

smiles

  • COC(=O)C[C@@H]1C=C[C@@H]([C@H](O1)CO)NC(=O)NC2=CC=C(C=C2)C(F)(F)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99255

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