Gonadorelin acetate hydrate

PubChem Notes:

Gonadorelin A decapeptide hormone released by the hypothalamus. It stimulates the synthesis and secretion of both FOLLICLE STIMULATING HORMONE and luteinizing hormone (LH) from the pituitary gland.

Molecular Formula: C57H81N17O16


InChI: InChI=1/C55H75N17O13.C2H4O2.H2O/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36;1-2(3)4;/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60);1H3,(H,3,4);1H2/f/h62-71H,56-58H2;3H;

InChIKey: InChIKey=OOBWZCWPKJOGPF-MYASDJTACI
SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O.O

Names:
    acetic acid; N-[1-[[1-[[1-[[1-[[1-[[1-[2-(carbamoylmethylcarbamoyl)pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxo-pentan-2-yl]carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]-5-oxo-pyrrolidine-2-carboxamide; hydrate
    Gonadorelin acetate hydrate
    Luteinizing hormone-releasing factor (pig), 5-L-phenylalanine-, acetate (salt), hydrate
    Luteinizing hormone-releasing factor (swine), 5-L-phenylalanine-, acetate (salt) hydrate
    33515-09-2
    52699-48-6

Registries:
    PubChem CID 11979412
    PubChem ID 207310