GLUCAGON, [125I]

CAS号
CCD编号
CCD00070333
分子式
C153 H224 I N43 O49 S
分子量
3606.77

基本信息

产品名称: GLUCAGON, [125I]
英文同义词: GLUCAGON, [125I]
MDL号: MFCD00142418
氢键受体数量: 92
氢键供体数量: 55
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(c(c5)[125I])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)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc7c[nH]cn7)N
InChi: InChI=1S/C153H224IN43O49S/c1-71(2)50-96(133(227)177-95(45-49-247-11)132(226)185-103(59-115(160)210)143(237)197-123(77(10)204)151(245)246)180-137(231)102(57-82-63-168-88-29-19-18-28-85(82)88)184-131(225)94(40-44-114(159)209)178-148(242)120(73(5)6)195-141(235)99(53-78-24-14-12-15-25-78)182-138(232)104(60-117(212)213)186-130(224)93(39-43-113(158)208)172-124(218)74(7)171-127(221)90(31-22-47-166-152(161)162)173-128(222)91(32-23-48-167-153(163)164)175-146(240)109(68-200)192-140(234)106(62-119(216)217)187-134(228)97(51-72(3)4)179-135(229)98(55-80-33-36-84(205)37-34-80)181-129(223)89(30-20-21-46-155)174-145(239)108(67-199)191-136(230)101(56-81-35-41-111(206)86(154)52-81)183-139(233)105(61-118(214)215)188-147(241)110(69-201)193-150(244)122(76(9)203)196-142(236)100(54-79-26-16-13-17-27-79)189-149(243)121(75(8)202)194-116(211)65-169-126(220)92(38-42-112(157)207)176-144(238)107(66-198)190-125(219)87(156)58-83-64-165-70-170-83/h12-19,24-29,33-37,41,52,63-64,70-77,87,89-110,120-123,168,198-206H,20-23,30-32,38-40,42-51,53-62,65-69,155-156H2,1-11H3,(H2,157,207)(H2,158,208)(H2,159,209)(H2,160,210)(H,165,170)(H,169,220)(H,171,221)(H,172,218)(H,173,222)(H,174,239)(H,175,240)(H,176,238)(H,177,227)(H,178,242)(H,179,229)(H,180,231)(H,181,223)(H,182,232)(H,183,233)(H,184,225)(H,185,226)(H,186,224)(H,187,228)(H,188,241)(H,189,243)(H,190,219)(H,191,230)(H,192,234)(H,193,244)(H,194,211)(H,195,235)(H,196,236)(H,197,237)(H,212,213)(H,214,215)(H,216,217)(H,245,246)(H4,161,162,166)(H4,163,164,167)/t74-,75+,76+,77+,87-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,120-,121-,122-,123-/m0/s1/i154-2
InChiKey: InChIKey=XGVJJTNWOYYVNZ-CJJHDQQOSA-N

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