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

Preferred term

1-[(2r,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)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

  • C30H37N5O4

inchi

  • InChI=1S/C30H37N5O4/c1-21-17-35(22(2)20-36)29(37)16-24-15-26(33-30(38)32-25-7-5-4-6-8-25)9-10-27(24)39-28(21)19-34(3)18-23-11-13-31-14-12-23/h4-15,21-22,28,36H,16-20H2,1-3H3,(H2,32,33,38)/t21-,22+,28+/m1/s1

inchikey

  • GKNVWIZUYOTGAW-WENCSYSZSA-N

mass

  • 531.647

monoisotopicmass

  • 531.28455

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=NC=C4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124127

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