acetone; methyl N-[(2S)-1-[(6S)-6-[4-(9,9-difluoro-7-{2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-1,3-benzodiazol-5-yl}fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate

CAS: 1441674-54-9

Formula: C52H60F2N8O7

SMILES: CC(C)=O.[H][C@]12CC[C@]([H])(C1)N([C@@H]2C1=NC2=CC(=CC=C2N1)C1=CC2=C(C=C1)C1=C(C=C(C=C1)C1=CNC(=N1)[C@@H]1CC3(CC3)CN1C(=O)[C@@H](NC(=O)OC)C(C)C)C2(F)F)C(=O)[C@@H](NC(=O)OC)C(C)C

IUPAC: methyl N-[(2S)-1-[(6S)-6-[4-(9,9-difluoro-7-{2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-1,3-benzodiazol-5-yl}-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate; propan-2-one

InChI: InChI=1S/C49H54F2N8O6.C3H6O/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6;1-3(2)4/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63);1-2H3/t29-,30-,38-,39-,40-,41-;/m0./s1

Composition: C (65.95%), H (6.39%), F (4.01%), N (11.83%), O (11.82%)

Molar Mass: 947.098

Atom Count: 129

Heavy Atom Count: 69