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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 > organonitrogen compound > cyanides > nitrile > 3-[(4s,5r)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]benzonitrile

Preferred term

3-[(4s,5r)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]benzonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C25H33N3O4S

inchi

  • InChI=1S/C25H33N3O4S/c1-5-11-27(4)16-24-18(2)15-28(19(3)17-29)33(30,31)25-10-9-22(13-23(25)32-24)21-8-6-7-20(12-21)14-26/h6-10,12-13,18-19,24,29H,5,11,15-17H2,1-4H3/t18-,19+,24-/m0/s1

inchikey

  • MVMICABGPKVLSI-GLDPYIMESA-N

mass

  • 471.614

monoisotopicmass

  • 471.21918

smiles

  • CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=CC(=C3)C#N)[C@H](C)CO)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:128836

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