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
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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:
C24 H32 N4 O2 S2
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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