Chem
J-GLOBAL ID：201507018427020422   Nikkaji number：J3.422.952J

1-Trityl-[Nα,Nα′-[[4-(dimethylamino)pyridine-2,6-diyl]bismethylene]bis(L-histidine methyl)] ester

1-トリチル-[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)]
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： C42H46N8O4
Molecular formula furigana： C42-H46-N8-O4
Molecular weight： 726.882
InChI： InChI=1S/C42H46N8O4/c1-49(2)37-20-34(25-44-38(40(51)53-3)22-33-24-43-28-46-33)48-35(21-37)26-45-39(41(52)54-4)23-36-27-50(29-47-36)42(30-14-8-5-9-15-30,31-16-10-6-11-17-31)32-18-12-7-13-19-32/h5-21,24,27-29,38-39,44-45H,22-23,25-26H2,1-4H3,(H,43,46)/t38-,39-/m0/s1
InChI key： CCGJOVBSBRYHRM-YDAXCOIMSA-N
SMILES： COC(=O)[C@H](Cc1c[nH]cn1)NCc1cc(cc(CN[C@@H](Cc2cn(cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)OC)n1)N(C)C
Systematic name  (5)：
  • 1-トリチル-[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)]
  • (2S)-2-[[6-[[[(1S)-1-(メトキシカルボニル)-2-(1H-イミダゾール-4-イル)エチル]アミノ]メチル]-4-(ジメチルアミノ)-2-ピリジルメチル]アミノ]-3-(1-トリチル-1H-イミダゾール-4-イル)プロパン酸メチル
  • (S)-[[[6-[(S)-1-メトキシカルボニル-2-(1-トリチル-1H-イミダゾール-4-イル)エチル]アミノメチル-4-ジメチルアミノピリジン-2-イル]メチル]アミノ][(1H-イミダゾール-4-イル)メチル]酢酸メチル
  • メチル (2S)-2-({[4-(ジメチルアミノ)-6-({[(2S)-3-(1H-イミダゾール-4-イル)-1-メトキシ-1-オキソプロパン-2-イル]アミノ}メチル)ピリジン-2-イル]メチル}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)-3-(1H-imidazol-4-yl)-1-methoxy-1-oxopropan-2-yl]amino}methyl)pyridin-2-yl]methyl}amino)-3-[1-(triphenylmethyl)-1H-imidazol-4-yl]propanoate
Other name (3)：
  • 1-Trityl-[Nα,Nα′-[[4-(dimethylamino)pyridine-2,6-diyl]bismethylene]bis(L-histidine methyl)] ester
  • (2S)-2-[[6-[[[(1S)-1-(Methoxycarbonyl)-2-(1H-imidazole-4-yl)ethyl]amino]methyl]-4-(dimethylamino)-2-pyridylmethyl]amino]-3-(1-trityl-1H-imidazole-4-yl)propanoic acid methyl ester
  • (S)-[[[6-[(S)-1-Methoxycarbonyl-2-(1-trityl-1H-imidazole-4-yl)ethyl]aminomethyl-4-dimethylaminopyridine-2-yl]methyl]amino][(1H-imidazole-4-yl)methyl]acetic acid methyl ester
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