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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)-9-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

Preferred term

1-[[(2r,3r)-9-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-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

  • C27H38N4O5

inchi

  • InChI=1S/C27H38N4O5/c1-18-15-31(19(2)17-32)26(33)14-20-13-22(29(3)4)9-12-24(20)36-25(18)16-30(5)27(34)28-21-7-10-23(35-6)11-8-21/h7-13,18-19,25,32H,14-17H2,1-6H3,(H,28,34)/t18-,19-,25+/m1/s1

inchikey

  • ATOUFFMQMQIITO-RRQZXNHTSA-N

mass

  • 498.615

monoisotopicmass

  • 498.28422

smiles

  • C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(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:129469

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