Catalog Number:
AG01D908
Chemical Name:
methyl ((S)-1-((S)-6-(5-(7-(2-((1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate (hydrochloride)
CAS Number:
2004675-26-5
Molecular Formula:
C42H44ClF2N7O3
Molecular Weight:
768.2937
MDL Number:
MFCD28347557
IUPAC Name:
methyl N-[1-[6-[5-[7-[2-[(1R,4R)-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydrochloride
InChI:
InChI=1S/C42H43F2N7O3.ClH/c1-21(2)35(50-40(53)54-3)39(52)51-20-41(12-13-41)18-34(51)37-45-19-33(49-37)24-6-10-28-27-9-5-22(15-29(27)42(43,44)30(28)16-24)23-7-11-31-32(17-23)48-38(47-31)36-25-4-8-26(14-25)46-36;/h5-7,9-11,15-17,19,21,25-26,34-36,46H,4,8,12-14,18,20H2,1-3H3,(H,45,49)(H,47,48)(H,50,53);1H/t25-,26-,34?,35?,36?;/m1./s1
InChI Key:
AQKYHXNZELZVPO-KMUAYWIHSA-N
SMILES:
COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc([nH]1)c1ccc3c(c1)C(F)(F)c1c3ccc(c1)c1ccc3c(c1)[nH]c(n3)[C@H]1N[C@H]3C[C@@H]1CC3)CC2)C(C)C.Cl
