Ganirelix Acetate Impurity B

Analyte Name

Ganirelix Acetate Impurity B

Molecular Formula

C52 H61 Cl N6 O9

Molecular Weight

949.529

Accurate Mass

948.419

SMILES

CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)N[C@H](Cc4cccnc4)C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@@H](Cc5ccc(OC(C)(C)C)cc5)C(=O)O

InChI

InChI=1S/C52H61ClN6O9/c1-32(60)55-41(28-35-14-19-37-12-8-9-13-38(37)25-35)46(61)56-42(26-33-15-20-39(53)21-16-33)47(62)57-43(29-36-11-10-24-54-30-36)48(63)59-45(31-67-51(2,3)4)49(64)58-44(50(65)66)27-34-17-22-40(23-18-34)68-52(5,6)7/h8-25,30,41-45H,26-29,31H2,1-7H3,(H,55,60)(H,56,61)(H,57,62)(H,58,64)(H,59,63)(H,65,66)/t41-,42-,43-,44+,45+/m1/s1

IUPAC

(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat