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Chemistry, part 1

Content language

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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 > n-[[(4s,5s)-8-bromo-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-3-(1-piperidinyl)propanamide
organooxygen compound > n-[[(4s,5s)-8-bromo-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-3-(1-piperidinyl)propanamide

Preferred term

n-[[(4s,5s)-8-bromo-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-3-(1-piperidinyl)propanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C23H36BrN3O5S

has_functional_parent

inchi

  • InChI=1S/C23H36BrN3O5S/c1-17-14-27(18(2)16-28)33(30,31)22-8-7-19(24)13-20(22)32-21(17)15-25(3)23(29)9-12-26-10-5-4-6-11-26/h7-8,13,17-18,21,28H,4-6,9-12,14-16H2,1-3H3/t17-,18-,21+/m0/s1

inchikey

  • QFNUSQGYMOISEO-BBTUJRGHSA-N

mass

  • 546.520

monoisotopicmass

  • 545.15590

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@@H]1CN(C)C(=O)CCN3CCCCC3)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119571

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