skip to main content

Chemistry, part 2

Content language

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

Concept information

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

Preferred term

n-[[(4s,5r)-8-(1-cyclopentenyl)-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-methylcyclohexanecarboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H40N2O5S

inchi

  • InChI=1S/C27H40N2O5S/c1-19-16-29(20(2)18-30)35(32,33)26-14-13-23(21-9-7-8-10-21)15-24(26)34-25(19)17-28(3)27(31)22-11-5-4-6-12-22/h9,13-15,19-20,22,25,30H,4-8,10-12,16-18H2,1-3H3/t19-,20-,25-/m0/s1

inchikey

  • BAVJOCCOTRWQAG-RLSLOFABSA-N

mass

  • 504.684

monoisotopicmass

  • 504.26579

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)C(=O)C4CCCCC4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129624

Download this concept:

RDF/XML TURTLE JSON-LD