Chem
J-GLOBAL ID：201007060057485330   Nikkaji number：J2.889.665D

N-[4-[1-[2-[N-(tert-Butoxycarbonyl)-N-[2-(tert-butoxycarbonylamino)ethyl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-ylacetylamino]butyl]acridine-9-carboxamide

N-[4-[1-[2-[N-(tert-ブトキシカルボニル)-N-[2-(tert-ブトキシカルボニルアミノ)エチル]アミノ]エチル]-3,5-ジメチル-1H-ピラゾール-4-イルアセチルアミノ]ブチル]アクリジン-9-カルボアミド
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： C39H53N7O6
Molecular formula furigana： C39-H53-N7-O6
Molecular weight： 715.896
InChI： InChI=1S/C39H53N7O6/c1-26-30(27(2)46(44-26)24-23-45(37(50)52-39(6,7)8)22-21-42-36(49)51-38(3,4)5)25-33(47)40-19-13-14-20-41-35(48)34-28-15-9-11-17-31(28)43-32-18-12-10-16-29(32)34/h9-12,15-18H,13-14,19-25H2,1-8H3,(H,40,47)(H,41,48)(H,42,49)
InChI key： DQVVJCLFWLMRLX-UHFFFAOYSA-N
SMILES： Cc1nn(CCN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C)c1CC(=O)NCCCCNC(=O)c1c2ccccc2nc2ccccc12
Systematic name  (3)：
  • N-[4-[1-[2-[N-(tert-ブトキシカルボニル)-N-[2-(tert-ブトキシカルボニルアミノ)エチル]アミノ]エチル]-3,5-ジメチル-1H-ピラゾール-4-イルアセチルアミノ]ブチル]アクリジン-9-カルボアミド
  • tert-ブチル N-{2-[(2-{4-[({4-[(アクリジン-9-イル)ホルムアミド]ブチル}カルバモイル)メチル]-3,5-ジメチル-1H-ピラゾール-1-イル}エチル)[(tert-ブトキシ)カルボニル]アミノ]エチル}カルバマート
  • tert-butyl N-{2-[(2-{4-[({4-[(acridin-9-yl)formamido]butyl}carbamoyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}ethyl)[(tert-butoxy)carbonyl]amino]ethyl}carbamate
Other name (1)：
  • N-[4-[1-[2-[N-(tert-Butoxycarbonyl)-N-[2-(tert-butoxycarbonylamino)ethyl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-ylacetylamino]butyl]acridine-9-carboxamide
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