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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,3s)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2s)-1-hydroxypropan-2-yl]urea

Preferred term

1-[(2s,3s)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2s)-1-hydroxypropan-2-yl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C25H34FN3O5

inchi

  • InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18-,24+/m0/s1

inchikey

  • DMFJOGMIMQDBLX-LLJLJFOGSA-N

mass

  • 475.554

monoisotopicmass

  • 475.24825

smiles

  • C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:100558

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