Chem
J-GLOBAL ID：200907044842443560   Nikkaji number：J1.241.379C

LF-16-0687

N-[3-[[(2S)-1-[[3-[(2,4-ジメチルキノリン-8-イル)オキシメチル]-2,4-ジクロロフェニル]スルホニル]ピロリジン-2-イル]カルボニルアミノ]プロピル]-4-アミジノベンズアミド
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： C34H36Cl2N6O5S
Molecular formula furigana： C34-H36-CL2-N6-O5-S
Molecular weight： 711.660
InChI： InChI=1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1
InChI key： XUHBBTKJWIBQMY-MHZLTWQESA-N
SMILES： Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)NCCCNC(=O)c3ccc(cc3)C(=N)N)c2n1
Systematic name  (3)：
  • N-[3-[[(2S)-1-[[3-[(2,4-ジメチルキノリン-8-イル)オキシメチル]-2,4-ジクロロフェニル]スルホニル]ピロリジン-2-イル]カルボニルアミノ]プロピル]-4-アミジノベンズアミド
  • 4-カルバムイミドイル-N-(3-{[(2S)-1-(2,4-ジクロロ-3-{[(2,4-ジメチルキノリン-8-イル)オキシ]メチル}ベンゼンスルホニル)ピロリジン-2-イル]ホルムアミド}プロピル)ベンズアミド
  • 4-carbamimidoyl-N-(3-{[(2S)-1-(2,4-dichloro-3-{[(2,4-dimethylquinolin-8-yl)oxy]methyl}benzenesulfonyl)pyrrolidin-2-yl]formamido}propyl)benzamide
Other name (2)：
  • N-[3-[[(2S)-1-[[3-[(2,4-Dimethylquinoline-8-yl)oxymethyl]-2,4-dichlorophenyl]sulfonyl]pyrrolidine-2-yl]carbonylamino]propyl]-4-amidinobenzamide
  • LF-16-0687
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