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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 > n-[[(4r,5s)-8-(4-cyanophenyl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-n-methylacetamide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C25H31N3O6S

inchi

  • InChI=1S/C25H31N3O6S/c1-17-13-28(18(2)15-29)35(31,32)24-10-9-21(20-7-5-19(12-26)6-8-20)11-22(24)34-23(17)14-27(3)25(30)16-33-4/h5-11,17-18,23,29H,13-16H2,1-4H3/t17-,18+,23-/m1/s1

inchikey

  • CUOJNPIZUFXRHX-IEGUWTFLSA-N

mass

  • 501.597

monoisotopicmass

  • 501.19336

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:106214

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