3-(苯并噻唑-2-基)-7-(二乙胺基)-2-羰基-2H-1-苯并吡喃-4-甲腈

pro_cas
127923-85-7
pro_cdbregno
CCD05428867
pro_formula
C43 H72 N2 O33
pro_molWeight
1145.02

basic_info

Product_Name: 3-(苯并噻唑-2-基)-7-(二乙胺基)-2-羰基-2H-1-苯并吡喃-4-甲腈
CAS: 127923-85-7
中文同义词: 3-(苯并噻唑-2-基)-7-(二乙胺基)-2-羰基-2H-1-苯并吡喃-4-甲腈
EnglishSynonyms: NEU5AC ALPHA(2-3)GAL BETA(1-4)[FUC ALPHA(1-3)]GLCNAC BETA(1-3)GAL BETA(1-4)GLC ; SIALYL LEWIS X-LACTOSE
pro_mdlNumber: MFCD20265602
pro_acceptors: 35
pro_donors: 21
pro_smile: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CO)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O)CO)CO)O)NC(=O)C)O)O)O
InChi: InChI=1S/C43H72N2O33/c1-10-21(55)25(59)29(63)39(68-10)75-34-20(45-12(3)52)38(76-35-24(58)16(7-48)70-40(30(35)64)73-31-17(8-49)69-37(65)28(62)27(31)61)72-18(9-50)32(34)74-41-36(26(60)23(57)15(6-47)71-41)78-43(42(66)67)4-13(53)19(44-11(2)51)33(77-43)22(56)14(54)5-46/h10,13-41,46-50,53-65H,4-9H2,1-3H3,(H,44,51)(H,45,52)(H,66,67)/t10-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35-,36+,37+,38-,39-,40-,41-,43-/m0/s1
InChiKey: InChIKey=GGTQVDXYCXBTFT-COOMVYTRSA-N

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