Gonadorelin acetate (USP)

Properties Image Occurences in reactions MNX_ID MNXM105425 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C57H81N17O15 charge 0 mass 1243.6098 reference keggD:D04361 InChIKey JYBUTQCEURWWJD-VIRDRFNDSA-N InChI InChI=1S/C55H75N17O12.C2H4O2.H2O/c1-30(2)20-38(49(79)67-37(14-8-18-60-55(57)58)54(84)72-19-9-15-43(72)53(83)62-26-44(56)74)66-46(76)27-63-47(77)39(21-31-10-4-3-5-11-31)68-52(82)42(28-73)71-50(80)40(22-32-24-61-35-13-7-6-12-34(32)35)69-51(81)41(23-33-25-59-29-64-33)70-48(78)36-16-17-45(75)65-36;1-2(3)4;/h3-7,10-13,24-25,29-30,36-43,61,73H,8-9,14-23,26-28H2,1-2H3,(H2,56,74)(H,59,64)(H,62,83)(H,63,77)(H,65,75)(H,66,76)(H,67,79)(H,68,82)(H,69,81)(H,70,78)(H,71,80)(H4,57,58,60);1H3,(H,3,4);1H2/t36-,37-,38-,39-,40-,41-,42-,43-;;/m0../s1 SMILES CC(=O)O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.O

Parent-child relations graph

Deprecated MNXref IDs graph