Pentanamide,N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl]amino]-,(2S)- (603139-19-1)

The Odanacatib, with the cas registry number 603139-19-1, is also known as Pentanamide, N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-(((1S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)(1,1'-biphenyl)-4-yl)ethyl)amino)-, (2S)-. This chemical's molecular formula is C₂₅H₂₇F₄N₃O₃S and formula weight is 525.564. What's more, its IUPAC name is called (2S)-N-(1-Cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide. This chemical's classification code is Bone resorption inhibitor.?Odanacatib?can be?used as investigational treatment for osteoporosis and bone metastasis, and it is an inhibitor of cathepsin K, an enzyme involved in bone resorption.

Physical properties about this chemical are: (1)XLogP3-AA: 4.1; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 9; (4)Rotatable Bond Count: 9; (5)Tautomer Count: 2; (6)Topological Polar Surface Area: 107; (7)Heavy Atom Count: 36; (8)Formal Charge: 0; (9)Complexity: 934; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 2; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 1; (16)Density: 1.35 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F
(2)Isomeric SMILES: CC(C)(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F
(3)InChI: InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1