N,N'-(2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(BIPHENYL-4,4'-DIYL)BIS(1H-IMIDAZOLE-4,2-DIYL))BIS(PYRROLIDINE-2,1-DIYL))BIS(3-METHYL-1-OXOBUTANE-2,1-DIYL)BIS(4-CHLOROBUTANAMIDE)

CAS号
CCD编号
CCD04664187
分子式
C44 H56 Cl2 N8 O4
分子量
831.884

基本信息

产品名称: N,N'-(2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(BIPHENYL-4,4'-DIYL)BIS(1H-IMIDAZOLE-4,2-DIYL))BIS(PYRROLIDINE-2,1-DIYL))BIS(3-METHYL-1-OXOBUTANE-2,1-DIYL)BIS(4-CHLOROBUTANAMIDE)
英文同义词: N,N'-(2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(BIPHENYL-4,4'-DIYL)BIS(1H-IMIDAZOLE-4,2-DIYL))BIS(PYRROLIDINE-2,1-DIYL))BIS(3-METHYL-1-OXOBUTANE-2,1-DIYL)BIS(4-CHLOROBUTANAMIDE)
MDL号: MFCD19053207
氢键受体数量: 12
氢键供体数量: 4
Smile: CC(C)[C@@H](C(=O)N1CCC[C@H]1c2[nH]cc(n2)c3ccc(cc3)c4ccc(cc4)c5c[nH]c(n5)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)CCCCl)NC(=O)CCCCl
InChi: InChI=1S/C44H56Cl2N8O4/c1-27(2)39(51-37(55)11-5-21-45)43(57)53-23-7-9-35(53)41-47-25-33(49-41)31-17-13-29(14-18-31)30-15-19-32(20-16-30)34-26-48-42(50-34)36-10-8-24-54(36)44(58)40(28(3)4)52-38(56)12-6-22-46/h13-20,25-28,35-36,39-40H,5-12,21-24H2,1-4H3,(H,47,49)(H,48,50)(H,51,55)(H,52,56)/t35-,36-,39-,40-/m0/s1
InChiKey: InChIKey=BCVBPTIJYVFREA-KEAHXZLPSA-N

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