GHRELIN, (HUMAN), [(125I)TYR4]

CAS号
CCD编号
CCD00898804
分子式
C149 H248 I N47 O43
分子量
3510.88

基本信息

产品名称: GHRELIN, (HUMAN), [(125I)TYR4]
英文同义词: GHRELIN, (HUMAN), [(125I)TYR4]
MDL号: MFCD09954043
氢键受体数量: 90
氢键供体数量: 49
Smile: CCCCCCCC(=O)OC[C@@H](C(=O)N[C@@H](Cc1ccc(c(c1)[125I])O)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)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=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/C149H248IN47O43/c1-9-10-11-12-13-40-118(211)240-76-105(192-135(227)102(73-198)172-115(206)71-155)137(229)188-100(69-82-41-48-110(201)84(150)68-82)133(225)187-99(67-79(4)5)132(224)191-104(75-200)144(236)195-63-26-37-107(195)139(231)181-94(47-54-117(209)210)128(220)189-101(70-83-72-166-77-170-83)134(226)180-91(43-50-112(157)203)126(218)176-89(34-23-60-168-148(162)163)130(222)193-119(80(6)7)141(233)182-92(44-51-113(158)204)127(219)178-90(42-49-111(156)202)125(217)175-88(33-22-59-167-147(160)161)122(214)174-86(30-15-19-56-152)121(213)179-93(46-53-116(207)208)129(221)190-103(74-199)136(228)177-87(31-16-20-57-153)123(215)183-95(32-17-21-58-154)142(234)197-65-28-39-109(197)145(237)196-64-27-36-106(196)138(230)171-81(8)120(212)173-85(29-14-18-55-151)124(216)186-98(66-78(2)3)131(223)184-96(45-52-114(159)205)143(235)194-62-25-38-108(194)140(232)185-97(146(238)239)35-24-61-169-149(164)165/h41,48,68,72,77-81,85-109,119,198-201H,9-40,42-47,49-67,69-71,73-76,151-155H2,1-8H3,(H2,156,202)(H2,157,203)(H2,158,204)(H2,159,205)(H,166,170)(H,171,230)(H,172,206)(H,173,212)(H,174,214)(H,175,217)(H,176,218)(H,177,228)(H,178,219)(H,179,213)(H,180,226)(H,181,231)(H,182,233)(H,183,215)(H,184,223)(H,185,232)(H,186,216)(H,187,225)(H,188,229)(H,189,220)(H,190,221)(H,191,224)(H,192,227)(H,193,222)(H,207,208)(H,209,210)(H,238,239)(H4,160,161,167)(H4,162,163,168)(H4,164,165,169)/t81-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-/m0/s1/i150-2
InChiKey: InChIKey=VCWFELNLVRHNCQ-QQPMXNBCSA-N

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