CAS: 1428243-27-9 - Phenylmethyl (3R,4S)-3-[2-[[(1,1-dimethylethoxy)carbonyl][5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-1-pyrrolidinecarboxylate

Formula: C₃₄H₃₉N₅O₇S

InChI: InChI=1S/C34H39N5O7S/c1-6-25-19-37(32(41)45-22-24-10-8-7-9-11-24)20-27(25)29(40)21-38(33(42)46-34(3,4)5)30-18-35-31-28(36-30)16-17-39(31)47(43,44)26-14-12-23(2)13-15-26/h7-18,25,27H,6,19-22H2,1-5H3/t25-,27+/m1/s1

InChI key: InChIKey=BFRDSFZFZQJXHN-VPUSJEBWSA-N

SMILES: O=C(OCC=1C=CC=CC1)N2CC(C(=O)CN(C(=O)OC(C)(C)C)C3=NC=4C=CN(C4N=C3)S(=O)(=O)C5=CC=C(C=C5)C)C(C2)CC

Upadacitinib Impurity 5

CAS: 1428243-27-9

• Formula: C₃₄H₃₉N₅O₇S
• Molecular weight: 661.77