Basic Information |
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| Product Name： | BIG-ENDOTHELIN-1, (PORCINE), [3-(125I)-TYR] |
| English Synonyms： | BIG-ENDOTHELIN-1, (PORCINE), [3-(125I)-TYR] |
| MDL Number.： | MFCD09954009 |
| H bond acceptor： | 107 |
| H bond donor： | 58 |
| Smile： | CCC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccc(c(c2)[125I])O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc6c[nH]c7c6cccc7)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc8c[nH]cn8)NC(=O)[C@@H]9CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N9)Cc2ccccc2)Cc2ccc(c(c2)[125I])O)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CO)CO)CC(C)C)CCSC)CC(=O)O)CCCCN)CCC(=O)O)CO)N |
| InChi： | InChI=1S/C193H287I2N49O58S5/c1-21-96(16)152(240-188(297)154(98(18)23-3)239-173(282)127(72-148(263)264)222-165(274)118(61-92(8)9)216-168(277)123(68-104-74-201-88-207-104)220-178(287)134-85-305-304-84-109(197)156(265)227-128(78-245)177(286)234-135-86-306-307-87-136(180(289)236-150(94(12)13)184(293)224-121(66-102-45-49-141(253)108(195)63-102)166(275)218-120(167(276)233-134)64-100-35-25-24-26-36-100)232-162(271)113(46-50-145(257)258)213-159(268)111(39-29-30-53-196)211-169(278)126(71-147(261)262)221-163(272)115(52-58-303-20)214-164(273)117(60-91(6)7)217-175(284)129(79-246)228-176(285)130(80-247)229-179(135)288)186(295)225-122(67-103-73-204-110-38-28-27-37-106(103)110)170(279)235-149(93(10)11)185(294)226-125(70-142(198)254)172(281)241-155(99(19)251)191(300)244-57-34-42-138(244)181(290)215-114(47-51-146(259)260)161(270)219-124(69-105-75-202-89-208-105)171(280)238-153(97(17)22-2)187(296)237-151(95(14)15)190(299)243-56-33-43-139(243)182(291)223-119(65-101-44-48-140(252)107(194)62-101)158(267)206-76-143(255)209-116(59-90(4)5)157(266)205-77-144(256)210-132(82-249)189(298)242-55-32-41-137(242)183(292)230-131(81-248)174(283)212-112(40-31-54-203-193(199)200)160(269)231-133(83-250)192(301)302/h24-28,35-38,44-45,48-49,62-63,73-75,88-99,109,111-139,149-155,204,245-253H,21-23,29-34,39-43,46-47,50-61,64-72,76-87,196-197H2,1-20H3,(H2,198,254)(H,201,207)(H,202,208)(H,205,266)(H,206,267)(H,209,255)(H,210,256)(H,211,278)(H,212,283)(H,213,268)(H,214,273)(H,215,290)(H,216,277)(H,217,284)(H,218,275)(H,219,270)(H,220,287)(H,221,272)(H,222,274)(H,223,291)(H,224,293)(H,225,295)(H,226,294)(H,227,265)(H,228,285)(H,229,288)(H,230,292)(H,231,269)(H,232,271)(H,233,276)(H,234,286)(H,235,279)(H,236,289)(H,237,296)(H,238,280)(H,239,282)(H,240,297)(H,241,281)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,301,302)(H4,199,200,203)/t96-,97?,98-,99+,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,149-,150-,151-,152-,153-,154-,155-/m0/s1/i194-2,195-2 |
| InChiKey： | InChIKey=UMRMDRJUFCBFCE-LHTRXXRMSA-N |
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中文版![BIG-ENDOTHELIN-1, (PORCINE), [3-(125I)-TYR]](http://www.chemcd.com/createImage?smile=CCC%28C%29%5BC%40%40H%5D%28C%28%3DO%29N%5BC%40%40H%5D%28C%28C%29C%29C%28%3DO%29N1CCC%5BC%40H%5D1C%28%3DO%29N%5BC%40%40H%5D%28Cc2ccc%28c%28c2%29%5B125I%5D%29O%29C%28%3DO%29NCC%28%3DO%29N%5BC%40%40H%5D%28CC%28C%29C%29C%28%3DO%29NCC%28%3DO%29N%5BC%40%40H%5D%28CO%29C%28%3DO%29N3CCC%5BC%40H%5D3C%28%3DO%29N%5BC%40%40H%5D%28CO%29C%28%3DO%29N%5BC%40%40H%5D%28CCCNC%28%3DN%29N%29C%28%3DO%29N%5BC%40%40H%5D%28CO%29C%28%3DO%29O%29NC%28%3DO%29%5BC%40H%5D%28Cc4c%5BnH%5Dcn4%29NC%28%3DO%29%5BC%40H%5D%28CCC%28%3DO%29O%29NC%28%3DO%29%5BC%40%40H%5D5CCCN5C%28%3DO%29%5BC%40H%5D%28%5BC%40%40H%5D%28C%29O%29NC%28%3DO%29%5BC%40H%5D%28CC%28%3DO%29N%29NC%28%3DO%29%5BC%40H%5D%28C%28C%29C%29NC%28%3DO%29%5BC%40H%5D%28Cc6c%5BnH%5Dc7c6cccc7%29NC%28%3DO%29%5BC%40H%5D%28%5BC%40%40H%5D%28C%29CC%29NC%28%3DO%29%5BC%40H%5D%28%5BC%40%40H%5D%28C%29CC%29NC%28%3DO%29%5BC%40H%5D%28CC%28%3DO%29O%29NC%28%3DO%29%5BC%40H%5D%28CC%28C%29C%29NC%28%3DO%29%5BC%40H%5D%28Cc8c%5BnH%5Dcn8%29NC%28%3DO%29%5BC%40%40H%5D9CSSC%5BC%40%40H%5D%28C%28%3DO%29N%5BC%40H%5D%28C%28%3DO%29N%5BC%40H%5D1CSSC%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%29N9%29Cc2ccccc2%29Cc2ccc%28c%28c2%29%5B125I%5D%29O%29C%28C%29C%29NC%28%3DO%29%5BC%40%40H%5D%28NC%28%3DO%29%5BC%40%40H%5D%28NC%28%3DO%29%5BC%40%40H%5D%28NC%28%3DO%29%5BC%40%40H%5D%28NC%28%3DO%29%5BC%40%40H%5D%28NC%28%3DO%29%5BC%40%40H%5D%28NC%28%3DO%29%5BC%40%40H%5D%28NC1%3DO%29CO%29CO%29CC%28C%29C%29CCSC%29CC%28%3DO%29O%29CCCCN%29CCC%28%3DO%29O%29CO%29N&size=web.jpg)