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Basic Information |
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Product Name: | ATB-BMPA-BIOTIN |
CAS: | 207971-25-3 |
English Synonyms: | ATB-BMPA-BIOTIN ; N-2-[2-[2-[(N-BIOTINYL-CAPROYLAMINO)-ETHOXY]ETHOXYL]-4-[2-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]BENZOYL]-1,3-BIS(MANNOPYRANOSYL-4-YLOXY)-2-PROPYLAMINE ; PEG-BIOTINCAP-ATB-BMPA |
MDL Number.: | MFCD04973564 |
H bond acceptor: | 26 |
H bond donor: | 13 |
Smile: | c1cc(c(cc1C2=NN2C(F)(F)F)OCCOCCOCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)NC(CO[C@@H]5[C@H](OC([C@H]([C@H]5O)O)O)CO)CO[C@@H]6[C@H](OC([C@H]([C@H]6O)O)O)CO |
InChi: | InChI=1S/C46H70F3N7O19S/c47-46(48,49)56-41(55-56)24-9-10-26(42(65)52-25(21-72-39-29(19-57)74-43(66)37(63)35(39)61)22-73-40-30(20-58)75-44(67)38(64)36(40)62)28(18-24)71-17-16-70-15-14-69-13-12-51-33(60)7-2-1-5-11-50-32(59)8-4-3-6-31-34-27(23-76-31)53-45(68)54-34/h9-10,18,25,27,29-31,34-40,43-44,57-58,61-64,66-67H,1-8,11-17,19-23H2,(H,50,59)(H,51,60)(H,52,65)(H2,53,54,68)/t25?,27-,29+,30+,31-,34-,35+,36+,37-,38-,39+,40+,43?,44?,56?/m0/s1 |
InChiKey: | InChIKey=LZDIQUBZWMEOEZ-PCGPRFOYSA-N |
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