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  1. BOP, Antagonist of integrin α4β1;Antagonist of integrin; alpha 9 subunit
    Cas#: 217453-20-8        Compound CID:  10301396
    SMILES: OC(=O)[C@H](Cc1ccc(OC(=O)N2CCCC2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
    InChIKey: MGKZYWCSUHALDJ-VXKWHMMOSA-N
    InChI: InChI=1S/C25H29N3O7S/c29-23(22-9-6-16-28(22)36(33,34)20-7-2-1-3-8-20)26-21(24(30)31)17-18-10-12-19(13-11-18)35-25(32)27-14-4-5-15-27/h1-3,7-8,10-13,21-22H,4-6,9,14-17H2,(H,26,29)(H,30,31)/t21-,22-/m0/s1
    Synonyms: compound 2;compound 3;N-(Benzenesulfonyl)-L-prolyl-L-O-(1-pyrrolidinylcarbonyl)tyrosine
  2. PG 97-269, Antagonist of PAC 1 receptor;Antagonist of VPAC 1 receptor;Antagonist of VPAC 2 receptor
    SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
    InChIKey: ATUJPFYFVOFWAC-MVAHIZQLSA-N
    InChI: InChI=1S/C150H246N44O38/c1-21-82(16)119(146(231)178-99(121(156)206)59-75(2)3)193-141(226)110(70-116(204)205)184-129(214)98(51-52-113(154)200)177-132(217)100(60-76(4)5)181-134(219)101(61-77(6)7)179-127(212)93(42-29-32-54-152)172-125(210)95(44-34-56-164-148(157)158)171-122(207)83(17)169-142(227)111(72-195)189-135(220)102(62-78(8)9)180-128(213)97(46-36-58-166-150(161)162)174-124(209)92(41-28-31-53-151)175-133(218)103(63-79(10)11)186-145(230)118(81(14)15)192-130(215)94(43-30-33-55-153)173-126(211)96(45-35-57-165-149(159)160)176-136(221)105(66-89-47-49-91(199)50-48-89)183-143(228)112(73-196)190-139(224)108(68-114(155)201)188-147(232)120(85(19)197)194-140(225)106(65-88-39-26-23-27-40-88)187-144(229)117(80(12)13)191-123(208)84(18)168-131(216)109(69-115(202)203)185-137(222)104(64-87-37-24-22-25-38-87)182-138(223)107(170-86(20)198)67-90-71-163-74-167-90/h22-27,37-40,47-50,71,74-85,92-112,117-120,195-197,199H,21,28-36,41-46,51-70,72-73,151-153H2,1-20H3,(H2,154,200)(H2,155,201)(H2,156,206)(H,163,167)(H,168,216)(H,169,227)(H,170,198)(H,171,207)(H,172,210)(H,173,211)(H,174,209)(H,175,218)(H,176,221)(H,177,217)(H,178,231)(H,179,212)(H,180,213)(H,181,219)(H,182,223)(H,183,228)(H,184,214)(H,185,222)(H,186,230)(H,187,229)(H,188,232)(H,189,220)(H,190,224)(H,191,208)(H,192,215)(H,193,226)(H,194,225)(H,202,203)(H,204,205)(H4,157,158,164)(H4,159,160,165)(H4,161,162,166)/t82-,83-,84-,85+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-/m0/s1
  3. TFLLR-NH₂, Agonist of PAR1
    SMILES: CC(C[C@@H](C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@H](O)C)N)CC(C)C)C
    InChIKey: ANAMCEKSRDPIPX-GFGQVAFXSA-N
    InChI: InChI=1S/C31H53N9O6/c1-17(2)14-22(27(43)37-21(26(33)42)12-9-13-36-31(34)35)38-28(44)23(15-18(3)4)39-29(45)24(16-20-10-7-6-8-11-20)40-30(46)25(32)19(5)41/h6-8,10-11,17-19,21-25,41H,9,12-16,32H2,1-5H3,(H2,33,42)(H,37,43)(H,38,44)(H,39,45)(H,40,46)(H4,34,35,36)/t19-,21+,22+,23+,24+,25+/m1/s1
    Synonyms: PEPTIDE1{T.F.L.L.R.[am]}$$$$;Thr-Phe-Leu-Leu-Arg-amide
  4. Ro 25-1553, Agonist of PAC 1 receptor;Agonist of VPAC 1 receptor;Agonist of VPAC 2 receptor
    Cas#: 159427-08-4        Compound CID:  16131327
    SMILES: CCCC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)CNC(=O)[C@@H]2CCCCN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCCN)CC(C)C)CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)OC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC=N4)NC(=O)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](C(C)C)N
    Synonyms: Ac-His¹[Glu⁸,Lys¹²,Nle¹⁷,Ala¹⁹,Asp²⁵,Leu²⁶,Lys²⁷'²⁸,Gly²⁹'³⁰,Thr³¹]VIP-NH2(cyclo 21-25);Ro 251553;Ro-251553
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