基本信息 |
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| 产品名称： | ([125I]-TYR0)-SOMATOSTATIN-28 |
| 英文同义词： | SOMATOSTATIN, (1-28), [3-(125I)TYR0] ; ([125I]-TYR0)-SOMATOSTATIN-28 |
| MDL号： | MFCD00142449 |
| 氢键受体数量： | 83 |
| 氢键供体数量： | 48 |
| Smile： | C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccccc4)Cc5ccccc5)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc8ccc(c(c8)[125I])O)N)C(=O)O)CO)[C@@H](C)O)Cc9ccccc9)O |
| InChi： | InChI=1S/C146H215IN42O41S3/c1-73(117(202)162-67-113(199)167-105-71-232-233-72-106(144(229)230)185-136(221)104(70-192)184-141(226)116(78(6)194)187-133(218)97(61-81-33-15-10-16-34-81)180-140(225)115(77(5)193)186-127(212)90(39-21-24-51-150)171-130(215)98(62-83-66-161-87-36-18-17-35-84(83)87)178-129(214)96(60-80-31-13-9-14-32-80)176-128(213)95(59-79-29-11-8-12-30-79)177-131(216)100(64-111(153)197)179-125(210)89(172-137(105)222)38-20-23-50-149)163-121(206)88(37-19-22-49-148)169-123(208)91(40-25-52-159-145(155)156)170-126(211)93(45-47-114(200)201)173-124(209)92(41-26-53-160-146(157)158)174-139(224)108-43-27-54-188(108)142(227)76(4)166-122(207)94(48-56-231-7)168-118(203)75(3)165-138(223)107-42-28-55-189(107)143(228)101(65-112(154)198)181-135(220)103(69-191)183-132(217)99(63-110(152)196)175-119(204)74(2)164-134(219)102(68-190)182-120(205)86(151)58-82-44-46-109(195)85(147)57-82/h8-18,29-36,44,46,57,66,73-78,86,88-108,115-116,161,190-195H,19-28,37-43,45,47-56,58-65,67-72,148-151H2,1-7H3,(H2,152,196)(H2,153,197)(H2,154,198)(H,162,202)(H,163,206)(H,164,219)(H,165,223)(H,166,207)(H,167,199)(H,168,203)(H,169,208)(H,170,211)(H,171,215)(H,172,222)(H,173,209)(H,174,224)(H,175,204)(H,176,213)(H,177,216)(H,178,214)(H,179,210)(H,180,225)(H,181,220)(H,182,205)(H,183,217)(H,184,226)(H,185,221)(H,186,212)(H,187,218)(H,200,201)(H,229,230)(H4,155,156,159)(H4,157,158,160)/t73-,74-,75-,76-,77+,78+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-/m0/s1/i147-2 |
| InChiKey： | InChIKey=OCIOGWVUUDSRRB-KHFXXRLQSA-N |
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English![([125I]-TYR0)-SOMATOSTATIN-28](http://www.chemcd.com/createImage?smile=C%5BC%40H%5D%28%5BC%40H%5D1C%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29N%5BC%40%40H%5D%28CSSC%5BC%40%40H%5D%28C%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29N1%29CCCCN%29Cc2c%5BnH%5Dc3c2cccc3%29Cc4ccccc4%29Cc5ccccc5%29CC%28%3DO%29N%29CCCCN%29NC%28%3DO%29CNC%28%3DO%29%5BC%40H%5D%28C%29NC%28%3DO%29%5BC%40H%5D%28CCCCN%29NC%28%3DO%29%5BC%40H%5D%28CCCNC%28%3DN%29N%29NC%28%3DO%29%5BC%40H%5D%28CCC%28%3DO%29O%29NC%28%3DO%29%5BC%40H%5D%28CCCNC%28%3DN%29N%29NC%28%3DO%29%5BC%40%40H%5D6CCCN6C%28%3DO%29%5BC%40H%5D%28C%29NC%28%3DO%29%5BC%40H%5D%28CCSC%29NC%28%3DO%29%5BC%40H%5D%28C%29NC%28%3DO%29%5BC%40%40H%5D7CCCN7C%28%3DO%29%5BC%40H%5D%28CC%28%3DO%29N%29NC%28%3DO%29%5BC%40H%5D%28CO%29NC%28%3DO%29%5BC%40H%5D%28CC%28%3DO%29N%29NC%28%3DO%29%5BC%40H%5D%28C%29NC%28%3DO%29%5BC%40H%5D%28CO%29NC%28%3DO%29%5BC%40H%5D%28Cc8ccc%28c%28c8%29%5B125I%5D%29O%29N%29C%28%3DO%29O%29CO%29%5BC%40%40H%5D%28C%29O%29Cc9ccccc9%29O&size=web.jpg)
