ODANACATIB ,603139-19-1 _Chemical Cloud Database

ODANACATIB

Basic Information
Product Name：	ODANACATIB
CAS：	603139-19-1
English Synonyms：	ODANACATIB (MK-0822) ; (S)-N-(1-CYANOCYCLOPROPYL)-4-FLUORO-4-METHYL-2-((S)-2,2,2-TRIFLUORO-1-(4'-(METHYLSULFONYL)BIPHENYL-4-YL)ETHYLAMINO)PENTANAMIDE ; ODANACATIB ; (2S)-N-(1-CYANOCYCLOPROPYL)-4-FLUORO-4-METHYL-2-[[(1S)-2,2,2-TRIFLUORO-1-[4'-(METHYLSULFONYL)[1,1'-BIPHENYL]-4-YL]ETHYL]AMINO]PENTANAMIDE ; 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)-
MDL Number.：	MFCD11042419
H bond acceptor：	6
H bond donor：	2
Smile：	CC(C)(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](c2ccc(cc2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F)F
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
InChiKey：	InChIKey=FWIVDMJALNEADT-SFTDATJTSA-N
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