Chem
J-GLOBAL ID：201707008014895152   Nikkaji number：J3.621.071K

1-(4-Aminobenzyl)-3-[(S)-1-(ethoxycarbonyl)-3-(methylthio)propyl]urea

1-(4-アミノベンジル)-3-[(S)-1-(エトキシカルボニル)-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： C15H23N3O3S
Molecular formula furigana： C15-H23-N3-O3-S
Molecular weight： 325.430
InChI： InChI=1S/C15H23N3O3S/c1-3-21-14(19)13(8-9-22-2)18-15(20)17-10-11-4-6-12(16)7-5-11/h4-7,13H,3,8-10,16H2,1-2H3,(H2,17,18,20)/t13-/m0/s1
InChI key： KLKMGXVYFUKFBN-ZDUSSCGKSA-N
SMILES： CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(N)cc1
Systematic name  (3)：
  • 1-(4-アミノベンジル)-3-[(S)-1-(エトキシカルボニル)-3-(メチルチオ)プロピル]尿素
  • エチル (2S)-2-({[(4-アミノフェニル)メチル]カルバモイル}アミノ)-4-(メチルスルファニル)ブタノアート
  • ethyl (2S)-2-({[(4-aminophenyl)methyl]carbamoyl}amino)-4-(methylsulfanyl)butanoate
Other name (1)：
  • 1-(4-Aminobenzyl)-3-[(S)-1-(ethoxycarbonyl)-3-(methylthio)propyl]urea
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