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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 > 3-(4-chlorophenyl)-1-[(2r,3s)-4-[(2-chlorophenyl)methyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea

Preferred term

3-(4-chlorophenyl)-1-[(2r,3s)-4-[(2-chlorophenyl)methyl-[(2s)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C24H33Cl2N3O3

inchi

  • InChI=1S/C24H33Cl2N3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)26)23(32-4)15-28(3)24(31)27-21-11-9-20(25)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18-,23-/m0/s1

inchikey

  • REZGKQRSIIUNQT-BSRJHKFKSA-N

mass

  • 482.444

monoisotopicmass

  • 481.18990

smiles

  • C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@H](CN(C)C(=O)NC2=CC=C(C=C2)Cl)OC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112962

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