Basic Information |
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Product Name: | 2'-BETA ALANYL-PACLITAXEL |
English Synonyms: | 2'-BETA ALANYL-PACLITAXEL |
MDL Number.: | MFCD09753052 |
H bond acceptor: | 17 |
H bond donor: | 4 |
Smile: | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)OC(=O)CCN)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C |
InChi: | InChI=1S/C50H56N2O15/c1-27-33(64-46(60)40(65-36(56)22-23-51)38(30-16-10-7-11-17-30)52-44(58)31-18-12-8-13-19-31)25-50(61)43(66-45(59)32-20-14-9-15-21-32)41-48(6,34(55)24-35-49(41,26-62-35)67-29(3)54)42(57)39(63-28(2)53)37(27)47(50,4)5/h7-21,33-35,38-41,43,55,61H,22-26,51H2,1-6H3,(H,52,58)/t33-,34-,35+,38-,39+,40+,41-,43-,48+,49-,50+/m0/s1 |
InChiKey: | InChIKey=LGVHFBOZJVZLDY-MJZMOBIKSA-N |
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