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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

LSM 42687  

Type

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

charge

  • 0

formula

  • C50H60F2N6O6

inchi

  • InChI=1S/2C25H30FN3O3/c2*1-3-6-17-9-10-21-22-19(14-28(21)25(17)32)20(15-30)23(24(31)27-11-4-2)29(22)13-16-7-5-8-18(26)12-16/h2*3,5-10,12,19-20,22-23,30H,4,11,13-15H2,1-2H3,(H,27,31)/t2*19-,20-,22+,23-/m11/s1

inchikey

  • JKVQERWUMACQKR-RMMWBGDJSA-N

mass

  • 879.047

monoisotopicmass

  • 878.45424

smiles

  • CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]2N1CC4=CC(=CC=C4)F)CO.CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]2N1CC4=CC(=CC=C4)F)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:131139

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