Chem
J-GLOBAL ID：201207044129635714   Nikkaji number：J3.023.137F

N′-[(1S,2R)-2-Hydroxy-3-(3-iodobenzylamino)-1-(3,5-difluorobenzyl)propyl]-5-methyl-N,N-dipropylisophthalamide

N′-[(1S,2R)-2-ヒドロキシ-3-(3-ヨードベンジルアミノ)-1-(3,5-ジフルオロベンジル)プロピル]-5-メチル-N,N-ジプロピルイソフタルアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C32H38F2IN3O3
Molecular formula furigana： C32-H38-F2-I-N3-O3
Molecular weight： 677.575
InChI： InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1
InChI key： FSQSHDXWJKXBPP-XZWHSSHBSA-N
SMILES： CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1
Systematic name  (3)：
  • N′-[(1S,2R)-2-ヒドロキシ-3-(3-ヨードベンジルアミノ)-1-(3,5-ジフルオロベンジル)プロピル]-5-メチル-N,N-ジプロピルイソフタルアミド
  • N3-[(2S,3R)-1-(3,5-ジフルオロフェニル)-3-ヒドロキシ-4-{[(3-ヨードフェニル)メチル]アミノ}ブタン-2-イル]-5-メチル-N1,N1-ジプロピルベンゼン-1,3-ジカルボキサミド
  • N3-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-iodophenyl)methyl]amino}butan-2-yl]-5-methyl-N1,N1-dipropylbenzene-1,3-dicarboxamide
Other name (1)：
  • N′-[(1S,2R)-2-Hydroxy-3-(3-iodobenzylamino)-1-(3,5-difluorobenzyl)propyl]-5-methyl-N,N-dipropylisophthalamide
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