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Chemistry, part 1

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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 > carboxamide > tertiary carboxamide > n-[[(4s,5s)-8-(1-cyclopentenyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-pyrazinecarboxamide
organooxygen compound > carboxamide > tertiary carboxamide > n-[[(4s,5s)-8-(1-cyclopentenyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-pyrazinecarboxamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > tertiary carboxamide > n-[[(4s,5s)-8-(1-cyclopentenyl)-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-methyl-2-pyrazinecarboxamide

Preferred term

n-[[(4s,5s)-8-(1-cyclopentenyl)-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-methyl-2-pyrazinecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C25H32N4O5S

inchi

  • InChI=1S/C25H32N4O5S/c1-17-14-29(18(2)16-30)35(32,33)24-9-8-20(19-6-4-5-7-19)12-22(24)34-23(17)15-28(3)25(31)21-13-26-10-11-27-21/h6,8-13,17-18,23,30H,4-5,7,14-16H2,1-3H3/t17-,18+,23+/m0/s1

inchikey

  • KDJJTCSMQRMMRL-YZZKKUAISA-N

mass

  • 500.612

monoisotopicmass

  • 500.20934

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)C(=O)C4=NC=CN=C4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:106243

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