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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-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C32H37F3N4O4

inchi

  • InChI=1S/C32H37F3N4O4/c1-21-17-39(22(2)20-40)30(41)16-24-15-27(37-31(42)36-26-7-5-4-6-8-26)13-14-28(24)43-29(21)19-38(3)18-23-9-11-25(12-10-23)32(33,34)35/h4-15,21-22,29,40H,16-20H2,1-3H3,(H2,36,37,42)/t21-,22+,29-/m1/s1

inchikey

  • RRTIWHGSFRWPSK-UETOGOEVSA-N

mass

  • 598.657

monoisotopicmass

  • 598.27669

smiles

  • C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:128354

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