skip to main content

Chemistry, part 2

Content language

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

Concept information

organooxygen compound > ether > aromatic ether > 1-[[(4s,5s)-8-[(3s)-3-hydroxybut-1-ynyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propan-2-ylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[[(4s,5s)-8-[(3s)-3-hydroxybut-1-ynyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propan-2-ylurea
... > 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-[[(4s,5s)-8-[(3s)-3-hydroxybut-1-ynyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propan-2-ylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[[(4s,5s)-8-[(3s)-3-hydroxybut-1-ynyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propan-2-ylurea

Preferred term

1-[[(4s,5s)-8-[(3s)-3-hydroxybut-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-propan-2-ylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C23H35N3O6S

inchi

  • InChI=1S/C23H35N3O6S/c1-15(2)24-23(29)25(6)13-21-16(3)12-26(17(4)14-27)33(30,31)22-10-9-19(8-7-18(5)28)11-20(22)32-21/h9-11,15-18,21,27-28H,12-14H2,1-6H3,(H,24,29)/t16-,17+,18-,21+/m0/s1

inchikey

  • VEFOSOMUCSIFLK-TWFHAPMSSA-N

mass

  • 481.607

monoisotopicmass

  • 481.22466

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96131

Download this concept:

RDF/XML TURTLE JSON-LD