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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-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea

Preferred term

1-[[(2r,3r)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C30H33N5O5

inchi

  • InChI=1S/C30H33N5O5/c1-20-17-35(21(2)19-36)29(37)26-14-23(9-8-22-10-12-31-13-11-22)16-32-28(26)40-27(20)18-34(3)30(38)33-24-6-5-7-25(15-24)39-4/h5-7,10-16,20-21,27,36H,17-19H2,1-4H3,(H,33,38)/t20-,21-,27+/m1/s1

inchikey

  • IVQXIBZAZBUJJC-GNMOFYLKSA-N

mass

  • 543.615

monoisotopicmass

  • 543.24817

smiles

  • C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=NC=C3)O[C@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:95541

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