基本信息 |
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| 产品名称： | ASTRESSIN, [(125I)D-TYR1] |
| 英文同义词： | ASTRESSIN, [(125I)D-TYR1] |
| MDL号： | MFCD09954041 |
| 氢键受体数量： | 92 |
| 氢键供体数量： | 52 |
| Smile： | CCCC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)Cc2c[nH]cn2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H](Cc4ccc(c(c4)[125I])O)N |
| InChi： | InChI=1S/C161H267IN48O44/c1-23-27-36-95(189-144(239)106(48-56-123(218)219)199-151(246)113(68-82(13)14)207-156(251)126(83(15)16)208-146(241)107(49-57-124(220)221)197-139(234)101(42-35-63-179-161(172)173)193-150(245)111(66-80(9)10)204-152(247)112(67-81(11)12)205-154(249)115(72-92-75-175-77-181-92)201-133(228)94(164)70-90-43-51-117(211)93(162)69-90)134(229)182-86(19)129(224)186-99(40-33-61-177-159(168)169)135(230)183-87(20)130(225)188-105(47-55-122(216)217)143(238)195-103(45-53-119(166)213)145(240)202-109(64-78(5)6)148(243)185-88(21)131(226)187-102(44-52-118(165)212)142(237)196-104-46-54-121(215)176-60-32-30-39-98(192-153(248)114(71-91-74-174-76-180-91)200-132(227)89(22)184-136(104)231)141(236)206-116(73-120(167)214)155(250)194-100(41-34-62-178-160(170)171)138(233)190-97(38-29-31-59-163)140(235)203-110(65-79(7)8)149(244)191-96(37-28-24-2)137(232)198-108(50-58-125(222)223)147(242)209-127(84(17)25-3)157(252)210-128(158(253)254)85(18)26-4/h43,51,69,74-89,94-116,126-128,211H,23-42,44-50,52-68,70-73,163-164H2,1-22H3,(H2,165,212)(H2,166,213)(H2,167,214)(H,174,180)(H,175,181)(H,176,215)(H,182,229)(H,183,230)(H,184,231)(H,185,243)(H,186,224)(H,187,226)(H,188,225)(H,189,239)(H,190,233)(H,191,244)(H,192,248)(H,193,245)(H,194,250)(H,195,238)(H,196,237)(H,197,234)(H,198,232)(H,199,246)(H,200,227)(H,201,228)(H,202,240)(H,203,235)(H,204,247)(H,205,249)(H,206,236)(H,207,251)(H,208,241)(H,209,242)(H,210,252)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,253,254)(H4,168,169,177)(H4,170,171,178)(H4,172,173,179)/t84-,85-,86-,87-,88-,89-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,126-,127-,128-/m0/s1/i162-2 |
| InChiKey： | InChIKey=DHDSFRGPIYLLRO-YOGZUKMYSA-N |
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