Chem
J-GLOBAL ID:200907026998375826   Nikkaji number:J2.113.702B

4,4′,4′′,4′′′-[Tetramethylenebisnitrilotetra(ethyleneiminocarbonyl)]tetra(2,3-dihydroxybenzoic acid)

4,4′,4′′,4′′′-[テトラメチレンビスニトリロテトラ(エチレンイミノカルボニル)]テトラ(2,3-ジヒドロキシ安息香酸)
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: C44H48N6O20
Molecular formula furigana: C44-H48-N6-O20
Molecular weight: 980.890
InChI: InChI=1S/C44H48N6O20/c51-29-21(3-7-25(33(29)55)41(63)64)37(59)45-11-17-49(18-12-46-38(60)22-4-8-26(42(65)66)34(56)30(22)52)15-1-2-16-50(19-13-47-39(61)23-5-9-27(43(67)68)35(57)31(23)53)20-14-48-40(62)24-6-10-28(44(69)70)36(58)32(24)54/h3-10,51-58H,1-2,11-20H2,(H,45,59)(H,46,60)(H,47,61)(H,48,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)
InChI key: GHOLZBIBBBJIHE-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(C(=O)NCCN(CCCCN(CCNC(=O)c2ccc(C(=O)O)c(O)c2O)CCNC(=O)c2ccc(C(=O)O)c(O)c2O)CCNC(=O)c2ccc(C(=O)O)c(O)c2O)c(O)c1O
Systematic name  (3):
  • 4,4′,4′′,4′′′-[テトラメチレンビスニトリロテトラ(エチレンイミノカルボニル)]テトラ(2,3-ジヒドロキシ安息香酸)
  • 4-{[2-({4-[ビス({2-[(4-カルボキシ-2,3-ジヒドロキシフェニル)ホルムアミド]エチル})アミノ]ブチル}({2-[(4-カルボキシ-2,3-ジヒドロキシフェニル)ホルムアミド]エチル})アミノ)エチル]カルバモイル}-2,3-ジヒドロキシ安息香酸
  • 4-{[2-({4-[bis({2-[(4-carboxy-2,3-dihydroxyphenyl)formamido]ethyl})amino]butyl}({2-[(4-carboxy-2,3-dihydroxyphenyl)formamido]ethyl})amino)ethyl]carbamoyl}-2,3-dihydroxybenzoic acid
Other name (1):
  • 4,4′,4′′,4′′′-[Tetramethylenebisnitrilotetra(ethyleneiminocarbonyl)]tetra(2,3-dihydroxybenzoic acid)
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