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

Preferred term

n-[[(4r,5s)-8-(2-cyclopentylethynyl)-2-[(2s)-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-phenylacetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C30H38N2O5S

inchi

  • InChI=1S/C30H38N2O5S/c1-22-19-32(23(2)21-33)38(35,36)29-16-15-26(14-13-24-9-7-8-10-24)17-27(29)37-28(22)20-31(3)30(34)18-25-11-5-4-6-12-25/h4-6,11-12,15-17,22-24,28,33H,7-10,18-21H2,1-3H3/t22-,23+,28-/m1/s1

inchikey

  • OOYLJRYZMKTJGR-AWVRMFGXSA-N

mass

  • 538.700

monoisotopicmass

  • 538.25014

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@@H]1CN(C)C(=O)CC4=CC=CC=C4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119563

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