Analyte Name

Ganirelix Impurity C

Molecular Formula

C41H78N12O7

Molecular Weight

851.13

Accurate Mass

850.61

SMILES

CC/N=C(NCC)/NCCCC[C@@H](C(N1C(C(N[C@@H](C)C(N)=O)=O)CCC1)=O)NC(C(CC(C)C)NC([C@H](NC(OC(C)(C)C)=O)CCCCN/C(NCC)=N/CC)=O)=O

InChI

InChI=1S/C41H78N12O7/c1-11-43-38(44-12-2)47-23-17-15-20-29(52-40(59)60-41(8,9)10)34(55)51-31(26-27(5)6)35(56)50-30(21-16-18-24-48-39(45-13-3)46-14-4)37(58)53-25-19-22-32(53)36(57)49-28(7)33(42)54/h27-32H,11-26H2,1-10H3,(H2,42,54)(H,49,57)(H,50,56)(H,51,55)(H,52,59)(H2,43,44,47)(H2,45,46,48)/t28-,29+,30-,31?,32?/m0/s1

IUPAC

tert-butyl ((3E,10S,16R,22E)-10-(2-(((S)-1-amino-1-oxopropan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-4,22-bis(ethylamino)-13-isobutyl-12,15-dioxo-3,5,11,14,21,23-hexaazapentacosa-3,22-dien-16-yl)carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat