Chem
J-GLOBAL ID：200907028608054520   Nikkaji number：J2.024.635I

2-[[[(6-Nitro-3,4-dimethoxybenzoyl)oxy]carbonyl]amino]-6-[[4-[(2,5-dihydro-2,5-dioxo-1H-pyrrole)-1-yl]-1-oxobutyl]amino]hexanoic acid cyanomethyl ester

シアノメチル 2-{[(4,5-ジメトキシ-2-ニトロベンゾイルオキシ)カルボニル]アミノ}-6-[4-(2,5-ジオキソ-2,5-ジヒドロ-1H-ピロール-1-イル)ブタンアミド]ヘキサノアート
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： C26H29N4[N+]O11[O-]
Molecular formula furigana： C26-H29-N5-O12
Molecular weight： 603.541
InChI： InChI=1S/C26H29N5O12/c1-40-19-14-16(18(31(38)39)15-20(19)41-2)24(35)43-26(37)29-17(25(36)42-13-10-27)6-3-4-11-28-21(32)7-5-12-30-22(33)8-9-23(30)34/h8-9,14-15,17H,3-7,11-13H2,1-2H3,(H,28,32)(H,29,37)
InChI key： YTEPLEQQWUWFOB-UHFFFAOYSA-N
SMILES： COc1cc(C(=O)OC(=O)NC(CCCCNC(=O)CCCN2C(=O)C=CC2=O)C(=O)OCC#N)c(cc1OC)[N+](=O)[O-]
Systematic name  (3)：
  • 2-[[[(6-ニトロ-3,4-ジメトキシベンゾイル)オキシ]カルボニル]アミノ]-6-[[4-[(2,5-ジヒドロ-2,5-ジオキソ-1H-ピロール)-1-イル]-1-オキソブチル]アミノ]ヘキサン酸シアノメチル
  • シアノメチル 2-{[(4,5-ジメトキシ-2-ニトロベンゾイルオキシ)カルボニル]アミノ}-6-[4-(2,5-ジオキソ-2,5-ジヒドロ-1H-ピロール-1-イル)ブタンアミド]ヘキサノアート
  • cyanomethyl 2-{[(4,5-dimethoxy-2-nitrobenzoyloxy)carbonyl]amino}-6-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanamido]hexanoate
Other name (1)：
  • 2-[[[(6-Nitro-3,4-dimethoxybenzoyl)oxy]carbonyl]amino]-6-[[4-[(2,5-dihydro-2,5-dioxo-1H-pyrrole)-1-yl]-1-oxobutyl]amino]hexanoic acid cyanomethyl ester
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