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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C30H33N3O6S

inchi

  • InChI=1S/C30H33N3O6S/c1-21-18-33(22(2)20-34)40(36,37)29-15-12-24(9-8-23-10-13-25(38-4)14-11-23)17-27(29)39-28(21)19-32(3)30(35)26-7-5-6-16-31-26/h5-7,10-17,21-22,28,34H,18-20H2,1-4H3/t21-,22+,28-/m1/s1

inchikey

  • WYRLQFCCGHRJLO-RZIGYZOXSA-N

mass

  • 563.667

monoisotopicmass

  • 563.20901

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)OC)O[C@@H]1CN(C)C(=O)C4=CC=CC=N4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119496

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