Ledipasvir Intermediate

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英文别名	2-Methyl-2-propanyl(1R,3S,4S)-3-{6-[9,9-difluoro-7-(2-{(6S)-5-[N-(methoxycarbonyl)-L-valyl]-5-azaspiro[2.4]hept-6-yl}-1H-imidazol-5-yl)-9H-fluoren-2-yl]-1H-benzimidazol-2-yl}-2-azabicyclo[2.2.1]heptane-2-carboxylate
CAS号	1256393-27-7
SMILES	CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1c3[nH]c(cn3)c4ccc-5c(c4)C(c6c5ccc(c6)c7ccc8c(c7)[nH]c(n8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)OC(C)(C)C)(F)F)NC(=O)OC
Inchi	InChI=1S/C47H51F2N7O5/c1-24(2)38(54-43(58)60-6)42(57)55-23-46(15-16-46)21-37(55)40-50-22-36(53-40)27-9-13-31-30-12-8-25(18-32(30)47(48,49)33(31)19-27)26-10-14-34-35(20-26)52-41(51-34)39-28-7-11-29(17-28)56(39)44(59)61-45(3,4)5/h8-10,12-14,18-20,22,24,28-29,37-39H,7,11,15-17,21,23H2,1-6H3,(H,50,53)(H,51,52)(H,54,58)/t28-,29+,37-,38-,39-/m0/s1
InchiKey	BFGOURKCVBTGRQ-RLNHTXKNSA-N
分子式 Formula	C47H51F2N7O5
分子量 Molecular Weight	831.948
Polarizability极化度	88.3±0.5 10-24cm3
密度 Density	1.4±0.1 g/cm3
储藏条件 Storage conditions	storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)