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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-[[(4s,5s)-2-[(2s)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea

Preferred term

1-[[(4s,5s)-2-[(2s)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C30H37N3O7S

inchi

  • InChI=1S/C30H37N3O7S/c1-20-17-33(21(2)19-34)41(36,37)29-14-13-22(25-11-6-7-12-26(25)39-5)15-27(29)40-28(20)18-32(3)30(35)31-23-9-8-10-24(16-23)38-4/h6-16,20-21,28,34H,17-19H2,1-5H3,(H,31,35)/t20-,21-,28+/m0/s1

inchikey

  • ZMKYSZODYJXXSG-YHGPEZAFSA-N

mass

  • 583.698

monoisotopicmass

  • 583.23522

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3OC)O[C@@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119565

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