Chem
J-GLOBAL ID：200907090067202502   Nikkaji number：J969.111A

25,26,27,28-Tetrakis[(diethylcarbamoyl)methoxy]-5-[(3-phenylureido)methyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

25,26,27,28-テトラキス[(ジエチルカルバモイル)メトキシ]-5-[(3-フェニルウレイド)メチル]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
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： C60H76N6O9
Molecular formula furigana： C60-H76-N6-O9
Molecular weight： 1025.300
InChI： InChI=1S/C60H76N6O9/c1-9-63(10-2)52(67)38-72-56-43-23-20-24-44(56)34-46-26-22-28-48(58(46)74-40-54(69)65(13-5)14-6)36-50-32-42(37-61-60(71)62-51-29-18-17-19-30-51)31-49(59(50)75-41-55(70)66(15-7)16-8)35-47-27-21-25-45(33-43)57(47)73-39-53(68)64(11-3)12-4/h17-32H,9-16,33-41H2,1-8H3,(H2,61,62,71)
InChI key： VMPBBELNJXWHMC-UHFFFAOYSA-N
SMILES： CCN(CC)C(=O)COc1c2Cc3cccc(Cc4cc(CNC(=O)Nc5ccccc5)cc(Cc5cccc(Cc1ccc2)c5OCC(=O)N(CC)CC)c4OCC(=O)N(CC)CC)c3OCC(=O)N(CC)CC
Systematic name  (3)：
  • 25,26,27,28-テトラキス[(ジエチルカルバモイル)メトキシ]-5-[(3-フェニルウレイド)メチル]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
  • N,N-ジエチル-2-({26,27,28-トリス[(ジエチルカルバモイル)メトキシ]-11-{[(フェニルカルバモイル)アミノ]メチル}ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25-イル}オキシ)アセトアミド
  • N,N-diethyl-2-({26,27,28-tris[(diethylcarbamoyl)methoxy]-11-{[(phenylcarbamoyl)amino]methyl}pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-yl}oxy)acetamide
Other name (1)：
  • 25,26,27,28-Tetrakis[(diethylcarbamoyl)methoxy]-5-[(3-phenylureido)methyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
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