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11 Items

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  1. AF12198, Antagonist of Interleukin-1 receptor; type I;Antagonist of Interleukin-2 receptor
    Cas#: 185413-30-3        Compound CID:  16135237
    Formula:  C96H123N19O22        Molecular Weight: 1895.12
    IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]azetidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
    SMILES: CC(C)CC(C(=O)N)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3CCN3C(=O)C(CCC(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)CNC(=O)C7CCCN7C(=O)C(C(C)O)NC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C
    InChIKey: VASLMBMCJADVGR-XQDBXYBUSA-N
    InChI: InChI=1S/C96H123N19O22/c1-51(2)41-69(83(98)124)107-92(133)77-24-16-38-113(77)95(136)75(42-52(3)4)111-84(125)53(5)102-86(127)71(44-57-25-29-61(118)30-26-57)110-93(134)78-37-40-115(78)94(135)68(33-35-79(97)120)106-88(129)72(45-58-27-31-62(119)32-28-58)108-89(130)73(46-59-48-99-65-21-13-11-19-63(59)65)104-80(121)50-101-91(132)76-23-15-39-114(76)96(137)82(54(6)116)112-90(131)74(47-60-49-100-66-22-14-12-20-64(60)66)109-85(126)67(34-36-81(122)123)105-87(128)70(103-55(7)117)43-56-17-9-8-10-18-56/h8-14,17-22,25-32,48-49,51-54,67-78,82,99-100,116,118-119H,15-16,23-24,33-47,50H2,1-7H3,(H2,97,120)(H2,98,124)(H,101,132)(H,102,127)(H,103,117)(H,104,121)(H,105,128)(H,106,129)(H,107,133)(H,108,130)(H,109,126)(H,110,134)(H,111,125)(H,112,131)(H,122,123)/t53-,54+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,82-/m0/s1
  2. [¹²⁵I]orexin A (human, mouse, rat), OX 1 receptor;OX 2 receptor
    SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O
    InChIKey: IXODJSWYPSZUCI-IIIOAANCSA-N
    InChI: InChI=1S/C152H247N47O44S4/c1-20-76(14)118(146(239)188-96(51-74(10)11)138(231)197-119(80(18)201)147(240)180-92(121(156)214)47-70(2)3)195-115(209)62-166-123(216)78(16)171-124(217)79(17)172-131(224)99(55-84-59-162-69-169-84)186-136(229)100(56-111(155)205)174-114(208)61-165-122(215)77(15)170-113(207)60-167-125(218)98(54-83-58-161-68-168-83)185-134(227)95(50-73(8)9)183-132(225)93(48-71(4)5)182-129(222)90(38-41-116(210)211)179-135(228)97(53-82-32-34-85(203)35-33-82)184-133(226)94(49-72(6)7)181-127(220)88(29-24-44-164-152(159)160)177-140(233)104(64-244)192-139(232)103(63-200)190-142(235)107(67-247)194-148(241)120(81(19)202)196-130(223)86(27-21-22-42-153)175-128(221)89(36-39-110(154)204)178-126(219)87(28-23-43-163-151(157)158)176-141(234)105(65-245)193-143(236)106(66-246)191-137(230)101(57-117(212)213)187-144(237)108-30-26-46-199(108)150(243)102(52-75(12)13)189-145(238)109-31-25-45-198(109)149(242)91-37-40-112(206)173-91/h32-35,58-59,68-81,86-109,118-120,200-203,244-247H,20-31,36-57,60-67,153H2,1-19H3,(H2,154,204)(H2,155,205)(H2,156,214)(H,161,168)(H,162,169)(H,165,215)(H,166,216)(H,167,218)(H,170,207)(H,171,217)(H,172,224)(H,173,206)(H,174,208)(H,175,221)(H,176,234)(H,177,233)(H,178,219)(H,179,228)(H,180,240)(H,181,220)(H,182,222)(H,183,225)(H,184,226)(H,185,227)(H,186,229)(H,187,237)(H,188,239)(H,189,238)(H,190,235)(H,191,230)(H,192,232)(H,193,236)(H,194,241)(H,195,209)(H,196,223)(H,197,231)(H,210,211)(H,212,213)(H4,157,158,163)(H4,159,160,164)/t76-,77-,78-,79-,80+,81+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,118-,119-,120-/m0/s1
  3. conopeptide Y-PI1, Channel blocker of K v1.6
    SMILES: CC[C@@H]([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)O)Cc1ccc(cc1)O)CCCN=C(N)N)[C@H](CC)C)Cc1ccc(cc1)O)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=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]([C@H](O)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]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1c[nH]cn1)Cc1ccccc1)CCC(=O)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CC(C)C)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccc(cc1)O)CC(C)C)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1c[nH]cn1)CCCN=C(N)N)Cc1ccc(cc1)O)C
    InChIKey: MNFKIRAJURGUGP-CWBJURCASA-N
    InChI: InChI=1S/C203H282N50O42/c1-16-113(11)165(192(288)229-143(44-31-85-222-203(214)215)174(270)247-161(198(294)295)102-128-61-77-138(263)78-62-128)248-188(284)156(99-125-55-71-135(260)72-56-125)239-185(281)155(98-124-53-69-134(259)70-54-124)244-193(289)166(114(12)17-2)249-191(287)163-46-33-87-253(163)196(292)159(101-127-59-75-137(262)76-60-127)245-173(269)141(42-29-83-220-201(210)211)227-186(282)158(103-129-105-216-107-223-129)241-176(272)145(88-109(3)4)231-181(277)150(93-119-36-23-19-24-37-119)235-172(268)142(43-30-84-221-202(212)213)230-194(290)167(116(14)254)250-187(283)148(91-112(9)10)233-183(279)152(96-122-49-65-132(257)66-50-122)236-171(267)140(41-28-82-219-200(208)209)226-179(275)151(95-121-47-63-131(256)64-48-121)238-177(273)147(90-111(7)8)243-195(291)168(117(15)255)251-189(285)157(100-126-57-73-136(261)74-58-126)240-184(280)153(97-123-51-67-133(258)68-52-123)237-175(271)144(79-80-164(205)264)228-180(276)154(94-120-38-25-20-26-39-120)242-190(286)162-45-32-86-252(162)197(293)160(104-130-106-217-108-224-130)246-178(274)146(89-110(5)6)232-182(278)149(92-118-34-21-18-22-35-118)234-170(266)139(225-169(265)115(13)204)40-27-81-218-199(206)207/h18-26,34-39,47-78,105-117,139-163,165-168,254-263H,16-17,27-33,40-46,79-104,204H2,1-15H3,(H2,205,264)(H,216,223)(H,217,224)(H,225,265)(H,226,275)(H,227,282)(H,228,276)(H,229,288)(H,230,290)(H,231,277)(H,232,278)(H,233,279)(H,234,266)(H,235,268)(H,236,267)(H,237,271)(H,238,273)(H,239,281)(H,240,280)(H,241,272)(H,242,286)(H,243,291)(H,244,289)(H,245,269)(H,246,274)(H,247,270)(H,248,284)(H,249,287)(H,250,283)(H,251,285)(H,294,295)(H4,206,207,218)(H4,208,209,219)(H4,210,211,220)(H4,212,213,221)(H4,214,215,222)/t113-,114-,115-,116+,117+,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,165-,166-,167-,168-/m0/s1
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