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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 > 3-(4-fluorophenyl)-1-[[(2r,3s)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea

Preferred term

3-(4-fluorophenyl)-1-[[(2r,3s)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C28H38FN5O5

inchi

  • InChI=1S/C28H38FN5O5/c1-17(2)30-27(37)31-23-10-11-24-20(12-23)13-26(36)34(19(4)16-35)14-18(3)25(39-24)15-33(5)28(38)32-22-8-6-21(29)7-9-22/h6-12,17-19,25,35H,13-16H2,1-5H3,(H,32,38)(H2,30,31,37)/t18-,19-,25-/m0/s1

inchikey

  • COELXGSSMKCDHI-MHPIHPPYSA-N

mass

  • 543.631

monoisotopicmass

  • 543.28570

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124177

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