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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C26H31N3O5S

inchi

  • InChI=1S/C26H31N3O5S/c1-17-14-29(18(2)16-30)35(32,33)25-10-9-22(21-6-4-5-19(11-21)13-27)12-23(25)34-24(17)15-28(3)26(31)20-7-8-20/h4-6,9-12,17-18,20,24,30H,7-8,14-16H2,1-3H3/t17-,18+,24+/m0/s1

inchikey

  • RFBFKJWIMZCTJL-HOOSLVGPSA-N

mass

  • 497.609

monoisotopicmass

  • 497.19844

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC(=C3)C#N)O[C@@H]1CN(C)C(=O)C4CC4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130002

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