基本信息 |
|
| 产品名称： | GLUCAGON (100-127) |
| 英文同义词： | GLUCAGON (100-127) ; H2N-EGTFTSDVSSYLEGQAAKEFIAWLVKGR-OH |
| MDL号： | MFCD08274288 |
| 氢键受体数量： | 79 |
| 氢键供体数量： | 46 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N |
| InChi： | InChI=1S/C140H213N35O44/c1-16-72(10)112(136(215)154-75(13)117(196)161-97(59-81-61-148-85-35-24-23-34-83(81)85)126(205)163-93(55-69(4)5)127(206)172-110(70(6)7)134(213)160-86(36-25-27-51-141)119(198)150-63-104(184)156-91(139(218)219)38-29-53-147-140(145)146)174-128(207)95(56-78-30-19-17-20-31-78)164-123(202)90(46-50-108(190)191)159-122(201)87(37-26-28-52-142)157-116(195)74(12)152-115(194)73(11)153-121(200)89(44-47-102(144)182)155-103(183)62-151-120(199)88(45-49-107(188)189)158-124(203)92(54-68(2)3)162-125(204)94(58-80-39-41-82(181)42-40-80)165-131(210)99(65-176)168-133(212)101(67-178)169-135(214)111(71(8)9)173-130(209)98(60-109(192)193)166-132(211)100(66-177)170-138(217)114(77(15)180)175-129(208)96(57-79-32-21-18-22-33-79)167-137(216)113(76(14)179)171-105(185)64-149-118(197)84(143)43-48-106(186)187/h17-24,30-35,39-42,61,68-77,84,86-101,110-114,148,176-181H,16,25-29,36-38,43-60,62-67,141-143H2,1-15H3,(H2,144,182)(H,149,197)(H,150,198)(H,151,199)(H,152,194)(H,153,200)(H,154,215)(H,155,183)(H,156,184)(H,157,195)(H,158,203)(H,159,201)(H,160,213)(H,161,196)(H,162,204)(H,163,205)(H,164,202)(H,165,210)(H,166,211)(H,167,216)(H,168,212)(H,169,214)(H,170,217)(H,171,185)(H,172,206)(H,173,209)(H,174,207)(H,175,208)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H,218,219)(H4,145,146,147)/t72-,73-,74-,75-,76+,77+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,110-,111-,112-,113-,114-/m0/s1 |
| InChiKey： | InChIKey=LPXDKTDORORHDW-WRFZDFFOSA-N |
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