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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,3s)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea

Preferred term

1-[(2s,3s)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea  

Type

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

Broader concept

charge

  • 0

formula

  • C32H38N4O7

inchi

  • InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)25-6-5-7-26(34-32(39)33-23-9-11-24(40-4)12-10-23)30(25)43-29(20)17-35(3)16-22-8-13-27-28(14-22)42-19-41-27/h5-14,20-21,29,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21+,29+/m0/s1

inchikey

  • QWIQMHSQTXUQBK-BNJCFXFUSA-N

mass

  • 590.668

monoisotopicmass

  • 590.27405

smiles

  • C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:131080

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