basic_info |
|
| Product_Name： | (DES-THR5)-GLUCAGON TRIFLUOROACETATE SALT |
| EnglishSynonyms： | H-HIS-SER-GLN-GLY-PHE-THR-SER-ASP-TYR-SER-LYS-TYR-LEU-ASP-SER-ARG-ARG-ALA-GLN-ASP-PHE-VAL-GLN-TRP-LEU-MET-ASN-THR-OH TRIFLUOROACETATE SALT ; (DES-THR5)-GLUCAGON TRIFLUOROACETATE SALT |
| pro_mdlNumber： | MFCD18782363 |
| pro_acceptors： | 89 |
| pro_donors： | 53 |
| pro_smile： | CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc6ccccc6)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc7c[nH]cn7)N.C(=O)(C(F)(F)F)O |
| InChi： | InChI=1S/C149H218N42O47S.C2HF3O2/c1-71(2)51-95(130(220)173-94(46-50-239-10)129(219)181-102(59-113(155)203)140(230)191-120(76(9)197)147(237)238)176-134(224)101(57-81-63-163-87-28-18-17-27-85(81)87)180-128(218)93(42-45-112(154)202)174-145(235)118(73(5)6)189-139(229)100(54-78-25-15-12-16-26-78)179-135(225)103(60-115(205)206)182-127(217)92(41-44-111(153)201)168-121(211)74(7)166-124(214)89(30-21-48-161-148(156)157)169-125(215)90(31-22-49-162-149(158)159)171-143(233)108(68-194)187-137(227)105(62-117(209)210)183-131(221)96(52-72(3)4)175-132(222)98(55-79-32-36-83(198)37-33-79)177-126(216)88(29-19-20-47-150)170-142(232)107(67-193)186-133(223)99(56-80-34-38-84(199)39-35-80)178-136(226)104(61-116(207)208)184-144(234)109(69-195)188-146(236)119(75(8)196)190-138(228)97(53-77-23-13-11-14-24-77)167-114(204)65-164-123(213)91(40-43-110(152)200)172-141(231)106(66-192)185-122(212)86(151)58-82-64-160-70-165-82;3-2(4,5)1(6)7/h11-18,23-28,32-39,63-64,70-76,86,88-109,118-120,163,192-199H,19-22,29-31,40-62,65-69,150-151H2,1-10H3,(H2,152,200)(H2,153,201)(H2,154,202)(H2,155,203)(H,160,165)(H,164,213)(H,166,214)(H,167,204)(H,168,211)(H,169,215)(H,170,232)(H,171,233)(H,172,231)(H,173,220)(H,174,235)(H,175,222)(H,176,224)(H,177,216)(H,178,226)(H,179,225)(H,180,218)(H,181,219)(H,182,217)(H,183,221)(H,184,234)(H,185,212)(H,186,223)(H,187,227)(H,188,236)(H,189,229)(H,190,228)(H,191,230)(H,205,206)(H,207,208)(H,209,210)(H,237,238)(H4,156,157,161)(H4,158,159,162);(H,6,7)/t74-,75+,76+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,118-,119-,120-;/m0./s1 |
| InChiKey： | InChIKey=IQDFERQXROZMEK-IYXYCECMSA-N |
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