Chem
J-GLOBAL ID：201607008742719401   Nikkaji number：J3.460.125I

2,2′-[4-(Dimethylamino)-2,6-pyridinediylbisimino]bis[(2S)-3-(1-trityl-1H-imidazole-4-yl)propanoic acid methyl] ester

2,2′-[4-(ジメチルアミノ)-2,6-ピリジンジイルビスイミノ]ビス[(2S)-3-(1-トリチル-1H-イミダゾール-4-イル)プロパン酸メチル]
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： C59H56N8O4
Molecular formula furigana： C59-H56-N8-O4
Molecular weight： 941.149
InChI： InChI=1S/C59H56N8O4/c1-65(2)51-37-54(62-52(56(68)70-3)35-49-39-66(41-60-49)58(43-23-11-5-12-24-43,44-25-13-6-14-26-44)45-27-15-7-16-28-45)64-55(38-51)63-53(57(69)71-4)36-50-40-67(42-61-50)59(46-29-17-8-18-30-46,47-31-19-9-20-32-47)48-33-21-10-22-34-48/h5-34,37-42,52-53H,35-36H2,1-4H3,(H2,62,63,64)/t52-,53-/m0/s1
InChI key： CAQYOXBJADYWEH-BNLBYEDMSA-N
SMILES： COC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)Nc1cc(cc(N[C@@H](Cc2cn(cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)OC)n1)N(C)C
Systematic name  (3)：
  • 2,2′-[4-(ジメチルアミノ)-2,6-ピリジンジイルビスイミノ]ビス[(2S)-3-(1-トリチル-1H-イミダゾール-4-イル)プロパン酸メチル]
  • メチル (2S)-2-{[4-(ジメチルアミノ)-6-{[(2S)-1-メトキシ-1-オキソ-3-[1-(トリフェニルメチル)-1H-イミダゾール-4-イル]プロパン-2-イル]アミノ}ピリジン-2-イル]アミノ}-3-[1-(トリフェニルメチル)-1H-イミダゾール-4-イル]プロパノアート
  • methyl (2S)-2-{[4-(dimethylamino)-6-{[(2S)-1-methoxy-1-oxo-3-[1-(triphenylmethyl)-1H-imidazol-4-yl]propan-2-yl]amino}pyridin-2-yl]amino}-3-[1-(triphenylmethyl)-1H-imidazol-4-yl]propanoate
Other name (1)：
  • 2,2′-[4-(Dimethylamino)-2,6-pyridinediylbisimino]bis[(2S)-3-(1-trityl-1H-imidazole-4-yl)propanoic acid methyl] ester
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