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Concept information

Preferred term

2-[(2r,5s,6r)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C17H21F3N2O5

inchi

  • InChI=1S/C17H21F3N2O5/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/h2-5,12-14,23H,6-9H2,1H3,(H2,21,22,25)/t12-,13+,14+/m1/s1

inchikey

  • HFDKIVHAHGCNSH-RDBSUJKOSA-N

mass

  • 390.355

monoisotopicmass

  • 390.14026

smiles

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

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:118400

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