Basic Information |
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| Product Name: | [125I]-GHRELIN (HUMAN) |
| English Synonyms: | GHRELIN, (HUMAN), [125I] ; [125I]-GHRELIN (HUMAN) |
| MDL Number.: | MFCD05663461 |
| H bond acceptor: | 89 |
| H bond donor: | 48 |
| Smile: | CCCCCCCC(=O)OC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)[125I])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NC(CCCCN)C(=O)[N@]4CCCC4C(=O)N5CCC[C@H]5C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)CN |
| InChi: | InChI=1S/C149H248IN47O42/c1-9-10-11-12-13-40-118(210)239-77-106(192-135(226)103(74-198)172-115(205)72-155)137(228)188-101(70-83-41-43-84(150)44-42-83)133(224)187-100(69-80(4)5)132(223)191-105(76-200)144(235)195-65-26-37-108(195)139(230)181-95(50-56-117(208)209)128(219)189-102(71-85-73-166-78-170-85)134(225)180-92(46-52-112(157)202)126(217)176-90(34-23-62-168-148(162)163)130(221)193-119(81(6)7)141(232)182-93(47-53-113(158)203)127(218)178-91(45-51-111(156)201)125(216)175-89(33-22-61-167-147(160)161)122(213)174-87(30-15-19-58-152)121(212)179-94(49-55-116(206)207)129(220)190-104(75-199)136(227)177-88(31-16-20-59-153)123(214)183-96(32-17-21-60-154)142(233)197-67-28-39-110(197)145(236)196-66-27-36-107(196)138(229)171-82(8)120(211)173-86(29-14-18-57-151)124(215)186-99(68-79(2)3)131(222)184-97(48-54-114(159)204)143(234)194-64-25-38-109(194)140(231)185-98(146(237)238)35-24-63-169-149(164)165/h41-44,73,78-82,86-110,119,198-200H,9-40,45-72,74-77,151-155H2,1-8H3,(H2,156,201)(H2,157,202)(H2,158,203)(H2,159,204)(H,166,170)(H,171,229)(H,172,205)(H,173,211)(H,174,213)(H,175,216)(H,176,217)(H,177,227)(H,178,218)(H,179,212)(H,180,225)(H,181,230)(H,182,232)(H,183,214)(H,184,222)(H,185,231)(H,186,215)(H,187,224)(H,188,228)(H,189,219)(H,190,220)(H,191,223)(H,192,226)(H,193,221)(H,206,207)(H,208,209)(H,237,238)(H4,160,161,167)(H4,162,163,168)(H4,164,165,169)/t82-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96?,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110?,119-/m0/s1/i150-2 |
| InChiKey: | InChIKey=KXKDRQKHNWPWGC-QXTSYHJBSA-N |
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