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

Preferred term

1-[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-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

  • C25H31F3N4O4

inchi

  • InChI=1S/C25H31F3N4O4/c1-15-13-32(16(2)14-33)23(34)11-17-10-20(8-9-21(17)36-22(15)12-29-3)31-24(35)30-19-6-4-18(5-7-19)25(26,27)28/h4-10,15-16,22,29,33H,11-14H2,1-3H3,(H2,30,31,35)/t15-,16-,22-/m1/s1

inchikey

  • NMJAJKSBHFWFOJ-XCGNWRKASA-N

mass

  • 508.534

monoisotopicmass

  • 508.22974

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]1CNC)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:108798

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