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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-[(2s)-1-hydroxypropan-2-yl]-1-[(2r,3s)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea

Preferred term

1-[(2s)-1-hydroxypropan-2-yl]-1-[(2r,3s)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C22H32F3N5O5S

inchi

  • InChI=1S/C22H32F3N5O5S/c1-15(19(35-5)11-29(4)36(33,34)20-12-28(3)14-26-20)10-30(16(2)13-31)21(32)27-18-8-6-17(7-9-18)22(23,24)25/h6-9,12,14-16,19,31H,10-11,13H2,1-5H3,(H,27,32)/t15-,16+,19-/m1/s1

inchikey

  • DUWNSMSZAPHBFZ-JTDSTZFVSA-N

mass

  • 535.582

monoisotopicmass

  • 535.20762

smiles

  • C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:102090

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