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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 > amide > primary amide > ureas > 4-[(4r,5s)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-n,n-dimethylbenzamide

Preferred term

4-[(4r,5s)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-n,n-dimethylbenzamide  

Type

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

Broader concept

charge

  • 0

formula

  • C31H37FN4O6S

inchi

  • InChI=1S/C31H37FN4O6S/c1-20-17-36(21(2)19-37)43(40,41)29-15-14-24(22-10-12-23(13-11-22)30(38)34(3)4)16-27(29)42-28(20)18-35(5)31(39)33-26-9-7-6-8-25(26)32/h6-16,20-21,28,37H,17-19H2,1-5H3,(H,33,39)/t20-,21+,28-/m1/s1

inchikey

  • CBIJUIOTIYQLMH-PHVLTXCSSA-N

mass

  • 612.714

monoisotopicmass

  • 612.24178

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)N(C)C)O[C@@H]1CN(C)C(=O)NC4=CC=CC=C4F)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119552

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