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

Preferred term

1-[[(2r,3r)-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]-3-(4-methoxyphenyl)-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C29H41N5O6

inchi

  • InChI=1S/C29H41N5O6/c1-18(2)30-28(37)31-23-9-12-25-21(13-23)14-27(36)34(20(4)17-35)15-19(3)26(40-25)16-33(5)29(38)32-22-7-10-24(39-6)11-8-22/h7-13,18-20,26,35H,14-17H2,1-6H3,(H,32,38)(H2,30,31,37)/t19-,20+,26+/m1/s1

inchikey

  • MDKZGHKRBFNUMF-GOHWNWGWSA-N

mass

  • 555.667

monoisotopicmass

  • 555.30568

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)OC)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126397

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