Chem
J-GLOBAL ID：200907001644466392   Nikkaji number：J765.988A

[[1-[(S)-2-[[4-Amidinobenzoyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxy]acetic acid ethyl ester

[[1-[(S)-2-[[4-アミジノベンゾイル]アミノ]-3-(4-ヒドロキシフェニル)プロパノイル]ピペリジン-4-イル]オキシ]酢酸エチル
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： C26H32N4O6
Molecular formula furigana： C26-H32-N4-O6
Molecular weight： 496.564
InChI： InChI=1S/C26H32N4O6/c1-2-35-23(32)16-36-21-11-13-30(14-12-21)26(34)22(15-17-3-9-20(31)10-4-17)29-25(33)19-7-5-18(6-8-19)24(27)28/h3-10,21-22,31H,2,11-16H2,1H3,(H3,27,28)(H,29,33)/t22-/m0/s1
InChI key： KLVKCAIZZUINTK-QFIPXVFZSA-N
SMILES： CCOC(=O)COC1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(cc1)C(=N)N
Systematic name  (3)：
  • [[1-[(S)-2-[[4-アミジノベンゾイル]アミノ]-3-(4-ヒドロキシフェニル)プロパノイル]ピペリジン-4-イル]オキシ]酢酸エチル
  • エチル 2-({1-[(2S)-2-[(4-カルバムイミドイルフェニル)ホルムアミド]-3-(4-ヒドロキシフェニル)プロパノイル]ピペリジン-4-イル}オキシ)アセタート
  • ethyl 2-({1-[(2S)-2-[(4-carbamimidoylphenyl)formamido]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl}oxy)acetate
Other name (1)：
  • [[1-[(S)-2-[[4-Amidinobenzoyl]amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxy]acetic acid ethyl ester
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