Basic Information |
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Product Name: | (DES-CARBOXAMIDE)-GOSERELIN TRIFLUOROACETATE SALT |
English Synonyms: | DECARBAMOYLGOSERELIN TRIFLUOROACETATE SALT ; (DES-GLY10,D-SER(TBU)6,PRO-NHNH29)-LHRH TRIFLUOROACETATE SALT ; PYR-HIS-TRP-SER-TYR-D-SER(TBU)-LEU-ARG-PRO-NHNH2 TRIFLUOROACETATE SALT ; (PRO-NHNH29)-BUSERELIN TRIFLUOROACETATE SALT ; (DES-CARBOXAMIDE)-GOSERELIN TRIFLUOROACETATE SALT |
MDL Number.: | MFCD18782303 |
H bond acceptor: | 30 |
H bond donor: | 17 |
Smile: | CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NN)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@@H]6CCC(=O)N6.C(=O)(C(F)(F)F)O |
InChi: | InChI=1S/C58H83N17O13.C2HF3O2/c1-31(2)22-40(49(80)67-39(12-8-20-63-57(59)60)56(87)75-21-9-13-46(75)55(86)74-61)68-54(85)45(29-88-58(3,4)5)73-50(81)41(23-32-14-16-35(77)17-15-32)69-53(84)44(28-76)72-51(82)42(24-33-26-64-37-11-7-6-10-36(33)37)70-52(83)43(25-34-27-62-30-65-34)71-48(79)38-18-19-47(78)66-38;3-2(4,5)1(6)7/h6-7,10-11,14-17,26-27,30-31,38-46,64,76-77H,8-9,12-13,18-25,28-29,61H2,1-5H3,(H,62,65)(H,66,78)(H,67,80)(H,68,85)(H,69,84)(H,70,83)(H,71,79)(H,72,82)(H,73,81)(H,74,86)(H4,59,60,63);(H,6,7)/t38-,39-,40-,41-,42-,43-,44-,45+,46+;/m0./s1 |
InChiKey: | InChIKey=KGJOZVCZTNGKDD-HBVAUDOBSA-N |
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