Chem
J-GLOBAL ID：201707013736608089   Nikkaji number：J3.621.072I

1-(4-Aminobenzyl)-3-[(S)-1-[[2β-(2-methylthiophenyl)pyrrolidine-1-yl]carbonyl]-3-(methylthio)propyl]urea

1-(4-アミノベンジル)-3-[(S)-1-[[2β-(2-メチルチオフェニル)ピロリジン-1-イル]カルボニル]-3-(メチルチオ)プロピル]尿素
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： C24H32N4O2S2
Molecular formula furigana： C24-H32-N4-O2-S2
Molecular weight： 472.670
InChI： InChI=1S/C24H32N4O2S2/c1-31-15-13-20(27-24(30)26-16-17-9-11-18(25)12-10-17)23(29)28-14-5-7-21(28)19-6-3-4-8-22(19)32-2/h3-4,6,8-12,20-21H,5,7,13-16,25H2,1-2H3,(H2,26,27,30)/t20-,21+/m0/s1
InChI key： SXQHCTVKKRKZEF-LEWJYISDSA-N
SMILES： CSCC[C@H](NC(=O)NCc1ccc(N)cc1)C(=O)N1CCC[C@@H]1c1ccccc1SC
Systematic name  (3)：
  • 1-(4-アミノベンジル)-3-[(S)-1-[[2β-(2-メチルチオフェニル)ピロリジン-1-イル]カルボニル]-3-(メチルチオ)プロピル]尿素
  • 1-[(4-アミノフェニル)メチル]-3-[(2S)-4-(メチルスルファニル)-1-[(2R)-2-[2-(メチルスルファニル)フェニル]ピロリジン-1-イル]-1-オキソブタン-2-イル]尿素
  • 1-[(4-aminophenyl)methyl]-3-[(2S)-4-(methylsulfanyl)-1-[(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]urea
Other name (1)：
  • 1-(4-Aminobenzyl)-3-[(S)-1-[[2β-(2-methylthiophenyl)pyrrolidine-1-yl]carbonyl]-3-(methylthio)propyl]urea
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