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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-(4-fluorophenyl)-3-[(2r,3r)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]urea

Preferred term

1-(4-fluorophenyl)-3-[(2r,3r)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C29H34FN5O4

inchi

  • InChI=1S/C29H34FN5O4/c1-19-15-35(20(2)18-36)28(37)25-14-24(33-29(38)32-23-6-4-22(30)5-7-23)8-9-26(25)39-27(19)17-34(3)16-21-10-12-31-13-11-21/h4-14,19-20,27,36H,15-18H2,1-3H3,(H2,32,33,38)/t19-,20-,27+/m1/s1

inchikey

  • KYCDDKXJGAYPPP-DVHCVUMVSA-N

mass

  • 535.611

monoisotopicmass

  • 535.25948

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123791

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