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Chemistry, part 1

Content language

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Concept information

organic aromatic compound > aromatic amine > (2r)-2-[(4r,5s)-8-(2-cyclopropylethynyl)-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > (2r)-2-[(4r,5s)-8-(2-cyclopropylethynyl)-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > (2r)-2-[(4r,5s)-8-(2-cyclopropylethynyl)-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol

Preferred term

(2r)-2-[(4r,5s)-8-(2-cyclopropylethynyl)-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H34N2O4S

inchi

  • InChI=1S/C27H34N2O4S/c1-20-16-29(21(2)19-30)34(31,32)27-14-13-23(12-11-22-9-10-22)15-25(27)33-26(20)18-28(3)17-24-7-5-4-6-8-24/h4-8,13-15,20-22,26,30H,9-10,16-19H2,1-3H3/t20-,21-,26-/m1/s1

inchikey

  • IKKPAINHCJPYFK-IPVFLDMMSA-N

mass

  • 482.637

monoisotopicmass

  • 482.22393

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CC3)O[C@@H]1CN(C)CC4=CC=CC=C4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:130465

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