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E. coli heat-stable enterotoxin (STa), TFA salt, Agonist of Guanylyl cyclase-CCas#: 118447-40-8(free base)Formula: C79H112N22O30S6(free base) Molecular Weight: 2042.25(free base)Synonyms: STh
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Lys-CoA, Inhibitor of E1A binding protein p300;Inhibitor of lysine acetyltransferase 2BIUPAC Name: [[(3R)-4-[[3-[2-[2-[[(5S)-5-acetamido-6-amino-6-oxohexyl]amino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphateSMILES: O[C@@H]1[C@H](OP(O)(O)=O)[C@H](O[C@H]1N2C3=NC=NC(N)=C3N=C2)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSCC(NCCCC[C@@H](C(N)=O)NC(C)=O)=O)=O)=O)(O)=O)(O)=OInChIKey: YGZKIOPJGFQDSR-QGSWMBNESA-NInChI: InChI=1S/C31H53N10O19P3S/c1-17(42)40-18(27(33)47)6-4-5-8-34-21(44)13-64-11-10-35-20(43)7-9-36-29(48)25(46)31(2,3)14-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(45)30(58-19)41-16-39-22-26(32)37-15-38-28(22)41/h15-16,18-19,23-25,30,45-46H,4-14H2,1-3H3,(H2,33,47)(H,34,44)(H,35,43)(H,36,48)(H,40,42)(H,52,53)(H,54,55)(H2,32,37,38)(H2,49,50,51)/t18-,19+,23+,24+,25-,30+/m0/s1
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dolcanatide, Agonist of Guanylyl cyclase-CCas#: 1092457-65-2 Compound CID: 91826710IUPAC Name: (2R)-2-[[(1R,4S,7S,10S,13S,16R,21R,27S,34R,37S,40S)-10-(2-amino-2-oxoethyl)-34-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[(2R)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-37-(2-carboxyethyl)-27-[(1R)-1-hydroxyethyl]-4-methyl-40-(2-methylpropyl)-3,6,9,12,15,23,26,29,35,38,41-undecaoxo-7,13-di(propan-2-yl)-18,19,31,32-tetrathia-2,5,8,11,14,22,25,28,36,39,42-undecazabicyclo[14.13.13]dotetracontane-21-carbonyl]amino]-4-methylpentanoic acidSMILES: OC(=O)CC[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@H](O)C)C(=O)N[C@@H](C(=O)O)CC(C)C)C(C)C)CC(=O)N)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)N)N)CC(=O)O)CCC(=O)OInChIKey: NSPHQWLKCGGCQR-HLHYUOOASA-NInChI: InChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31+,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,48-,49-,50-/m0/s1Synonyms: SP-333 | GTPL10011 | D-Leucine, D-asparaginyl-L-alpha-aspartyl-L-alpha-glutamyl-L-cysteinyl-L-alpha-glutamyl-L-leucyl...
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heteropodatoxin-2, Channel blocker of K v4.2Cas#: 741730-12-1
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sBmTX 3, Channel blocker of K v4.2SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)CC)C(C)CInChIKey: OVMOLHUEGARLEO-FPJBZLIISA-NInChI: InChI=1S/C140H246N48O45S6/c1-20-66(13)106(130(224)159-52-99(200)181-101(61(3)4)131(225)163-69(16)110(204)160-68(15)109(203)156-50-97(198)164-74(30-22-25-41-141)117(211)177-89(59-238)129(223)187-107(67(14)21-2)136(230)172-81(46-93(147)194)115(209)158-51-98(199)165-75(33-28-44-153-139(149)150)118(212)176-88(58-237)128(222)185-105(65(11)12)135(229)180-90(60-239)138(232)233)186-112(206)71(18)161-116(210)76(31-23-26-42-142)167-119(213)78(34-29-45-154-140(151)152)168-127(221)87(57-236)179-134(228)104(64(9)10)184-124(218)84(54-190)174-111(205)70(17)162-125(219)85(55-234)178-123(217)83(53-189)166-96(197)49-155-95(196)48-157-114(208)79(36-39-92(146)193)169-126(220)86(56-235)175-120(214)77(32-24-27-43-143)170-133(227)103(63(7)8)183-122(216)82(47-94(148)195)173-137(231)108(72(19)191)188-121(215)80(37-40-100(201)202)171-132(226)102(62(5)6)182-113(207)73(144)35-38-91(145)192/h61-90,101-108,189-191,234-239H,20-60,141-144H2,1-19H3,(H2,145,192)(H2,146,193)(H2,147,194)(H2,148,195)(H,155,196)(H,156,203)(H,157,208)(H,158,209)(H,159,224)(H,160,204)(H,161,210)(H,162,219)(H,163,225)(H,164,198)(H,165,199)(H,166,197)(H,167,213)(H,168,221)(H,169,220)(H,170,227)(H,171,226)(H,172,230)(H,173,231)(H,174,205)(H,175,214)(H,176,212)(H,177,211)(H,178,217)(H,179,228)(H,180,229)(H,181,200)(H,182,207)(H,183,216)(H,184,218)(H,185,222)(H,186,206)(H,187,223)(H,188,215)(H,201,202)(H,232,233)(H4,149,150,153)(H4,151,152,154)/t66-,67-,68-,69-,70-,71-,72+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,101-,102-,103-,104-,105-,106-,107-,108-/m0/s1
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linaclotide, Heat-stable enterotoxin receptor agonistCas#: 851199-59-2 Compound CID: 16158208Formula: C59H79N15O21S6 Molecular Weight: 1526.8IUPAC Name: (2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27S,30S,33R,38R,44S)-21-amino-13-(2-amino-2-oxoethyl)-27-(2-carboxyethyl)-44-[(1R)-1-hydroxyethyl]-30-[(4-hydroxyphenyl)methyl]-4-methyl-3,6,12,15,22,25,28,31,40,43,46,51-dodecaoxo-18,19,35,36,48,49-hexathia-2,5,11,14,23,26,29,32,39,42,45,52-dodecazatetracyclo[22.22.4.216,33.07,11]dopentacontane-38-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acidSMILES: CC1C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)CNC(=O)C(NC2=O)C(C)O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)C(=O)NC(CSSCC(C(=O)N3)N)C(=O)NC(C(=O)N5CCCC5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)OInChIKey: KXGCNMMJRFDFNR-WDRJZQOASA-NInChI: InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1Synonyms: linaclotidum | L-Tyrosine, L-cysteinyl-L-cysteinyl-L-alpha-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L...