Chem
J-GLOBAL ID：200907087118758160   Nikkaji number：J627.419F

HPH-3

Nα,Nα′-[(4-ジメチルアミノ-2,6-ピリジンジイル)ビスメチレン]ビス(L-ヒスチジンメチル)
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： C23H32N8O4
Molecular formula furigana： C23-H32-N8-O4
Molecular weight： 484.561
InChI： InChI=1S/C23H32N8O4/c1-31(2)19-5-17(11-26-20(22(32)34-3)7-15-9-24-13-28-15)30-18(6-19)12-27-21(23(33)35-4)8-16-10-25-14-29-16/h5-6,9-10,13-14,20-21,26-27H,7-8,11-12H2,1-4H3,(H,24,28)(H,25,29)/t20-,21-/m0/s1
InChI key： YVUROPAXIFKXPJ-SFTDATJTSA-N
SMILES： COC(=O)[C@H](Cc1c[nH]cn1)NCc1cc(cc(CN[C@@H](Cc2c[nH]cn2)C(=O)OC)n1)N(C)C
Systematic name  (9)：
  • Nα,Nα′-[[4-(ジメチルアミノ)ピリジン-2,6-ジイル]ビスメチレン]ビス(L-ヒスチジンメチル)
  • (2S,2′S)-2,2′-[[4-(ジメチルアミノ)ピリジン-2,6-ジイル]ビス(メチレンイミノ)]ビス[3-(1H-イミダゾール-4-イル)プロパン酸メチル]
  • Nα,Nα′-[(4-ジメチルアミノ-2,6-ピリジンジイル)ビスメチレン]ビス(L-ヒスチジンメチル)
  • Nα,Nα′-[[4-(ジメチルアミノ)ピリジン-2,6-ジイル]ビス(メチレン)]ビス(L-ヒスチジンメチル)
  • 2,2′-[[4-(ジメチルアミノ)ピリジン-2,6-ジイル]ビス(メチレンイミノ)]ビス[(S)-3-(1H-イミダゾール-5-イル)プロピオン酸メチル]
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Other name (7)：
  • Nα,Nα′-[(4-Dimethylamino-2,6-pyridinediyl)bismethylene]bis(L-histidine methyl) ester
  • (2S,2′S)-2,2′-[[4-(Dimethylamino)pyridine-2,6-diyl]bis(methyleneimino)]bis[3-(1H-imidazol-4-yl)propanoic acid methyl] ester
  • Nα,Nα′-[[4-(Dimethylamino)pyridine-2,6-diyl]bis(methylene)]bis(L-histidine methyl) ester
  • HPH-3
  • 2,2′-[[4-(Dimethylamino)pyridine-2,6-diyl]bis(methyleneimino)]bis[(S)-3-(1H-imidazole-5-yl)propionic acid methyl] ester
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