CAS 2502156-12-7

Formula: C59H71ClFN11O7S

InChI: InChI=1S/C59H71ClFN11O7S/c1-37(61)56(76)71-27-26-70(32-42(71)19-22-62)54-45-20-25-69(48-14-7-11-40-10-6-13-46(60)51(40)48)34-47(45)65-58(67-54)79-35-43-12-8-23-68(43)24-9-28-78-29-21-50(74)66-53(59(3,4)5)57(77)72-33-44(73)30-49(72)55(75)63-31-39-15-17-41(18-16-39)52-38(2)64-36-80-52/h6-7,10-11,13-18,36,42-44,49,53,73H,1,8-9,12,19-21,23-35H2,2-5H3,(H,63,75)(H,66,74)/t42-,43-,44-,49-,53+/m0/s1

InChI key: ZCGQZLKPUVGCBQ-QDHBVFLESA-N

SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCCN4CCC[C@H]4COC5=NC6=C(CCN(C6)C7=CC=CC8=C7C(=CC=C8)Cl)C(=N5)N9CCN([C@H](C9)CC#N)C(=O)C(=C)F)O

LC 2 Epimer

CAS: 2502156-12-7

Negative control for LC 2.

Formula: C₅₉H₇₁ClFN₁₁O₇S

Color and Shape: Solid

Molecular weight: 1132.8

Ref: TM-T41215