Scyliorhinin II (trifluoroacetate salt) (dogfish)

An NK3 receptor peptide agonist, binds NK3 receptors in isolated rat cerebral cortex (Ki = 2.5 nM), induces contractions in isolated and perfused carp intestinal bulb smooth muscle strips (EC50 = 39 nM), induces reciprocal hindlimb neck-scratching behavior in mice (ED50 = 0.08 nmol/animal, i.c.v.). Formulation: A solid. InChI: InChI=1S/C77H119N21O26S3.C2HF3O2/c1-38(2)26-44(65(112)85-42(62(81)109)20-25-125-5)84-57(103)31-82-75(122)61(39(3)4)95-68(115)45(27-40-14-7-6-8-15-40)87-71(118)51-36-126-127-37-52(77(124)98-24-13-19-55(98)73(120)89-47(29-59(105)106)63(110)83-32-58(104)96-22-11-17-53(96)72(119)90-48(30-60(107)108)67(114)93-51)94-64(111)43(16-9-10-21-78)86-69(116)49(34-100)91-66(113)46(28-56(80)102)88-70(117)50(35-101)92-74(121)54-18-12-23-97(54)76(123)41(79)33-99,3-2(4,5)1(6)7/h6-8,14-15,38-39,41-55,61,99-101H,9-13,16-37,78-79H2,1-5H3,(H2,80,102)(H2,81,109)(H,82,122)(H,83,110)(H,84,103)(H,85,112)(H,86,116)(H,87,118)(H,88,117)(H,89,120)(H,90,119)(H,91,113)(H,92,121)(H,93,114)(H,94,111)(H,95,115)(H,105,106)(H,107,108),(H,6,7)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,61-,/m0./s1. InChIKey: VQTIVRODJVVFQG-JKVSPIOXSA-N. SMILES: O=C([C@H](CSSC[C@H](NC([C@@H](N1)CC(O)=O)=O)C(N[C@H](C(N[C@@H](C(C)C)C(NCC(N[C@@H](CC(C)C)C(N[C@H](C(N)=O)CCSC)=O)=O)=O)=O)CC2=CC=CC=C2)=O)NC([C@H](CCCCN)NC([C@H](CO)NC([C@H](CC(N)=O)NC([C@H](CO)NC([C@H](CCC3)N3C([C@@H](N)CO)=O)=O)=O)=O)=O)=O)N4[C@@](C(N[C@H](C(NCC(N(CCC5)[C@]5([H])C1=O)=O)=O)CC(O)=O)=O)([H])CCC4.OC(C(F)(F)F)=O