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11 Items

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  1. MEN10627, Antagonist of NK 2 receptor
    Cas#: 157351-81-0        Compound CID:  5311274
    IUPAC Name: (1R,4S,7S,10R,13R,16S)-13-(1H-indol-3-ylmethyl)-4-(2-methylpropyl)-7-(2-methylsulfanylethyl)-16-(phenylmethyl)-3,6,9,12,15,18,20-heptazabicyclo[8.8.4]docosane-2,5,8,11,14,17,21-heptone
    SMILES: CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CNC(=O)C[C@@H](NC1=O)C(=O)N[C@H](Cc1c[nH]c3c1cccc3)C(=O)N[C@H](C(=O)N2)Cc1ccccc1
    InChIKey: CFDNUNSOUUFTQO-JYMVZIKVSA-N
    InChI: InChI=1S/C38H48N8O7S/c1-21(2)15-27-34(49)41-26(13-14-54-3)33(48)45-30-18-32(47)40-20-31(38(53)42-27)46-35(50)28(16-22-9-5-4-6-10-22)43-36(51)29(44-37(30)52)17-23-19-39-25-12-8-7-11-24(23)25/h4-12,19,21,26-31,39H,13-18,20H2,1-3H3,(H,40,47)(H,41,49)(H,42,53)(H,43,51)(H,44,52)(H,45,48)(H,46,50)/t26-,27-,28-,29+,30+,31+/m0/s1
  2. R396, Antagonist of NK 2 receptor
    Cas#: 129809-09-2        Compound CID:  164286
    IUPAC Name: (3S)-3-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
    SMILES: CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCC(=O)N)CC(=O)O)NC(=O)C)C
    InChIKey: VTQMNICJVWMKEV-QKUYTOGTSA-N
    InChI: InChI=1S/C39H51N9O10/c1-21(2)15-28(44-22(3)49)37(56)48-31(18-34(52)53)39(58)45-27(13-14-32(40)50)36(55)47-30(17-24-19-42-26-12-8-7-11-25(24)26)38(57)46-29(35(54)43-20-33(41)51)16-23-9-5-4-6-10-23/h4-12,19,21,27-31,42H,13-18,20H2,1-3H3,(H2,40,50)(H2,41,51)(H,43,54)(H,44,49)(H,45,58)(H,46,57)(H,47,55)(H,48,56)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
    Synonyms: R 396|129809-09-2|Ac-Leu-Asp-Gln-Trp-Phe-Gly-NH2|R396|Glycinamide, N-acetyl-L-leucyl-L-alpha-aspartyl-L-glutaminyl-L-...
  3. Tyr⁰α-CGRP (human), Agonist of AMY 1 receptor;Agonist of AMY 2 receptor
    SMILES: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C
    InChIKey: UQSHHVABFISEOB-GPBSWCBHSA-N
    InChI: InChI=1S/C172H278N52O51S2/c1-78(2)56-105(196-124(237)70-188-138(243)86(17)193-148(253)106(57-79(3)4)203-146(251)102(44-35-53-185-171(180)181)198-151(256)109(62-97-67-184-77-191-97)209-168(273)136(93(24)231)223-165(270)131(84(13)14)217-160(265)118(76-277)214-169(274)134(91(22)229)220-141(246)89(20)195-166(271)133(90(21)228)221-156(261)113(66-127(240)241)208-159(264)117(75-276)213-140(245)87(18)192-142(247)99(175)59-96-47-49-98(232)50-48-96)149(254)204-107(58-80(5)6)150(255)212-116(74-227)158(263)200-103(45-36-54-186-172(182)183)147(252)211-114(72-225)143(248)189-68-123(236)187-69-126(239)215-129(82(9)10)164(269)218-130(83(11)12)163(268)201-101(43-32-34-52-174)145(250)206-110(63-120(176)233)153(258)207-111(64-121(177)234)152(257)205-108(61-95-40-29-26-30-41-95)154(259)219-132(85(15)16)170(275)224-55-37-46-119(224)161(266)222-135(92(23)230)167(272)210-112(65-122(178)235)155(260)216-128(81(7)8)162(267)190-71-125(238)197-115(73-226)157(262)199-100(42-31-33-51-173)144(249)194-88(19)139(244)202-104(137(179)242)60-94-38-27-25-28-39-94/h25-30,38-41,47-50,67,77-93,99-119,128-136,225-232,276-277H,31-37,42-46,51-66,68-76,173-175H2,1-24H3,(H2,176,233)(H2,177,234)(H2,178,235)(H2,179,242)(H,184,191)(H,187,236)(H,188,243)(H,189,248)(H,190,267)(H,192,247)(H,193,253)(H,194,249)(H,195,271)(H,196,237)(H,197,238)(H,198,256)(H,199,262)(H,200,263)(H,201,268)(H,202,244)(H,203,251)(H,204,254)(H,205,257)(H,206,250)(H,207,258)(H,208,264)(H,209,273)(H,210,272)(H,211,252)(H,212,255)(H,213,245)(H,214,274)(H,215,239)(H,216,260)(H,217,265)(H,218,269)(H,219,259)(H,220,246)(H,221,261)(H,222,266)(H,223,270)(H,240,241)(H4,180,181,185)(H4,182,183,186)/t86-,87-,88-,89-,90+,91+,92+,93+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,128-,129-,130-,131-,132-,133-,134-,135-,136-/m0/s1
  4. [¹²⁵I]NKA (human, mouse, rat), Agonist of NK 2 receptor
    SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(N)=O
    InChIKey: HEAUFJZALFKPBA-JPQUDPSNSA-N
    InChI: InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1
  5. nepadutant, Neurokinin 2 receptor antagonist
    Cas#: 183747-35-5        Compound CID:  3086682
    IUPAC Name: (2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-6-(phenylmethyl)1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methylpentanoic acid
    SMILES: OC[C@H]1O[C@@H](NC(=O)C[C@@H](C(=O)N[C@H]2CC(=O)NC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)Cc2c[nH]c3c2cccc3)Cc2ccccc2)C(=O)N[C@H](C(=O)O)CC(C)C)N)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
    InChIKey: NPSVXOVMLVOMDD-SXRVEDALSA-N
    InChI: InChI=1S/C45H60N10O14/c1-21(2)13-31(45(67)68)53-43(66)32-19-48-34(58)17-30(50-39(62)26(46)16-35(59)55-44-36(49-22(3)57)38(61)37(60)33(20-56)69-44)42(65)52-29(15-24-18-47-27-12-8-7-11-25(24)27)41(64)51-28(40(63)54-32)14-23-9-5-4-6-10-23/h4-12,18,21,26,28-33,36-38,44,47,56,60-61H,13-17,19-20,46H2,1-3H3,(H,48,58)(H,49,57)(H,50,62)(H,51,64)(H,52,65)(H,53,66)(H,54,63)(H,55,59)(H,67,68)/t26-,28-,29-,30-,31-,32-,33+,36+,37+,38+,44+/m0/s1
  6. GR100679, Antagonist of NK 2 receptor
    Cas#: 150351-87-4        Compound CID:  5311129
    IUPAC Name: N-[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-dimethylamino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
    SMILES: O=C(N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N(C)C)Cc1ccccc1)Cc1c[nH]c2c1cccc2)C)CNC(=O)C1CCCCC1
    InChIKey: IBHXDZADSPABSD-GJDOKZOISA-N
    InChI: InChI=1S/C34H44N6O5/c1-22(37-30(41)21-36-32(43)24-14-8-5-9-15-24)31(42)38-28(19-25-20-35-27-17-11-10-16-26(25)27)33(44)39-29(34(45)40(2)3)18-23-12-6-4-7-13-23/h4,6-7,10-13,16-17,20,22,24,28-29,35H,5,8-9,14-15,18-19,21H2,1-3H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t22-,28+,29-/m0/s1
    Synonyms: GR 100679;GR-100679
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