PFAS
Global PFAS Screening Tool
No. of Substances: 18960
Odanacatib(MK-0822)
奥当卡替, 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)-, N-(1-Cyanocyclopropyl)-4-fluoro-N-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-4-biphenylyl]ethyl}-L-leucinamide, MK0822, Odanacatib (JAN/USAN), MK-0822, Odanacatib, UNII-N673F6W2VH, MK 0822, (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
CAS Number: 603139-19-1
IUPAC name: (2S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
Molecular formula: C25H27F4N3O3S
Molecular weight: 525.559
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: FWIVDMJALNEADT-SFTDATJTSA-N
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
EINECS: -
