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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 > 1-[(2r,3s)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea

Preferred term

1-[(2r,3s)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C26H33F3N4O6S

inchi

  • InChI=1S/C26H33F3N4O6S/c1-16-13-33(17(2)15-34)24(35)12-18-11-21(9-10-22(18)39-23(16)14-32(3)40(4,37)38)31-25(36)30-20-7-5-19(6-8-20)26(27,28)29/h5-11,16-17,23,34H,12-15H2,1-4H3,(H2,30,31,36)/t16-,17-,23-/m0/s1

inchikey

  • HZSXZCOBWRAVOF-QQMNAOGKSA-N

mass

  • 586.626

monoisotopicmass

  • 586.20729

smiles

  • C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127732

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