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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 > 3-cyclohexyl-1-[[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-8-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

Preferred term

3-cyclohexyl-1-[[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-8-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C31H43N5O6

inchi

  • InChI=1S/C31H43N5O6/c1-20-17-36(21(2)19-37)29(38)26-16-24(33-30(39)32-23-10-13-25(41-4)14-11-23)12-15-27(26)42-28(20)18-35(3)31(40)34-22-8-6-5-7-9-22/h10-16,20-22,28,37H,5-9,17-19H2,1-4H3,(H,34,40)(H2,32,33,39)/t20-,21+,28-/m0/s1

inchikey

  • RJROVUFZJIAJHT-GTNJKRJXSA-N

mass

  • 581.704

monoisotopicmass

  • 581.32133

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)C(=O)NC4CCCCC4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123748

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