skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organooxygen compound > ether > aromatic ether > 1-[[(4r,5r)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[[(4r,5r)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[[(4r,5r)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[[(4r,5r)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea

Preferred term

1-[[(4r,5r)-8-(3-hydroxy-3-methylbut-1-ynyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C24H37N3O6S

inchi

  • InChI=1S/C24H37N3O6S/c1-7-12-25-23(29)26(6)15-21-17(2)14-27(18(3)16-28)34(31,32)22-9-8-19(13-20(22)33-21)10-11-24(4,5)30/h8-9,13,17-18,21,28,30H,7,12,14-16H2,1-6H3,(H,25,29)/t17-,18-,21+/m1/s1

inchikey

  • JAWXPOQCFIAERV-OPYAIIAOSA-N

mass

  • 495.634

monoisotopicmass

  • 495.24031

smiles

  • CCCNC(=O)N(C)C[C@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C#CC(C)(C)O)[C@H](C)CO)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96434

Download this concept:

RDF/XML TURTLE JSON-LD