吡咯烷,1-[(1-羟基-2-吡啶基)硫代]- (9CI)

pro_cas
127985-27-7
pro_cdbregno
CCD00179098
pro_formula
C38 H40 N2 O18
pro_molWeight
812.73

basic_info

Product_Name: 吡咯烷,1-[(1-羟基-2-吡啶基)硫代]- (9CI)
CAS: 127985-27-7
中文同义词: 吡咯烷,1-[(1-羟基-2-吡啶基)硫代]- (9CI)
EnglishSynonyms: PRADIMICIN E
pro_mdlNumber: MFCD00889138
pro_acceptors: 20
pro_donors: 11
pro_smile: Cc1cc2c(c(c1C(=O)NCC(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)[C@@H]([C@H]2O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)N)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O
InChi: InChI=1S/C38H40N2O18/c1-10-4-16-23(30(49)20(10)36(53)40-8-19(43)44)22-14(7-15-24(31(22)50)27(46)13-5-12(54-3)6-17(41)21(13)26(15)45)28(47)34(16)57-38-33(52)35(25(39)11(2)56-38)58-37-32(51)29(48)18(42)9-55-37/h4-7,11,18,25,28-29,32-35,37-38,41-42,47-52H,8-9,39H2,1-3H3,(H,40,53)(H,43,44)/t11-,18-,25+,28+,29+,32-,33-,34+,35+,37+,38+/m1/s1
InChiKey: InChIKey=HELMFNXPQUQJFY-FPDYCEOPSA-N

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