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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-[[(4s,5r)-8-(1-cyclohexenyl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-2-phenylacetamide
organooxygen compound > carboxamide > acetamides > n-[[(4s,5r)-8-(1-cyclohexenyl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$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-[[(4s,5r)-8-(1-cyclohexenyl)-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-[[(4s,5r)-8-(1-cyclohexenyl)-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

  • C29H38N2O5S

inchi

  • InChI=1S/C29H38N2O5S/c1-21-18-31(22(2)20-32)37(34,35)28-15-14-25(24-12-8-5-9-13-24)17-26(28)36-27(21)19-30(3)29(33)16-23-10-6-4-7-11-23/h4,6-7,10-12,14-15,17,21-22,27,32H,5,8-9,13,16,18-20H2,1-3H3/t21-,22-,27-/m0/s1

inchikey

  • YNRAMKWVNRHNLY-BERHBOFZSA-N

mass

  • 526.690

monoisotopicmass

  • 526.25014

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)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:128381

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