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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 > n-[(2r,3r)-5-[(2r)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide

Preferred term

n-[(2r,3r)-5-[(2r)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C33H40N4O6

inchi

  • InChI=1S/C33H40N4O6/c1-22-19-37(23(2)21-38)32(40)18-25-17-27(34-31(39)16-24-8-6-5-7-9-24)12-15-29(25)43-30(22)20-36(3)33(41)35-26-10-13-28(42-4)14-11-26/h5-15,17,22-23,30,38H,16,18-21H2,1-4H3,(H,34,39)(H,35,41)/t22-,23-,30+/m1/s1

inchikey

  • CGYYYKYOQGTOJG-JWUQWVJQSA-N

mass

  • 588.695

monoisotopicmass

  • 588.29479

smiles

  • C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)OC)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111628

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