About lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide
lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide (PubChem CID 165101507) has the molecular formula C80H97F12LiN4O9S2
and a molecular weight of 1557.73 g/mol. Its IUPAC name is lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide.
Frequently Asked Questions
What is the IUPAC name of lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide?
The IUPAC name of lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide (CID 165101507) is lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide.
What is the SMILES notation for lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide?
The canonical SMILES for lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide is CCOC(=O)C[C@H](CC(=O)C(CC(C)C)n1cc(CCN2CCC2)c(C)cc1=O)c1c(F)c(-c2c(C)cc(C3CC3)c(F)c2C)cc(C(F)(F)F)c1F.Cc1cc(=O)n(C(CC(C)C)C(=O)C[C@@H](CC(=O)O)c2c(F)c(-c3c(C)cc(C4CC4)c(F)c3C)cc(C(F)(F)F)c2F)cc1CCN1CCC1.S.S.[Li+].[OH-].
What is the InChIKey of lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide?
The InChIKey is YKGAMHQXUGRRDG-MYBDQYCTSA-M. The full InChI is InChI=1S/C41H48F6N2O4.C39H44F6N2O4.Li.H2O.2H2S/c1-7-53-35(52)19-28(18-33(50)32(15-22(2)3)49-21-27(23(4)17-34(49)51)11-14-48-12-8-13-48)37-39(43)30(20-31(40(37)44)41(45,46)47)36-24(5)16-29(26-9-10-26)38(42)25(36)6;1-20(2)13-30(47-19-25(21(3)15-32(47)49)9-12-46-10-6-11-46)31(48)16-26(17-33(50)51)35-37(41)28(18-29(38(35)42)39(43,44)45)34-22(4)14-27(24-7-8-24)36(40)23(34)5;;;;/h16-17,20-22,26,28,32H,7-15,18-19H2,1-6H3;14-15,18-20,24,26,30H,6-13,16-17H2,1-5H3,(H,50,51);;3*1H2/q;;+1;;;/p-1/t28-,32?;26-,30?;;;;/m00..../s1.
What are the key properties of lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide?
lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide has a molecular weight of 1557.73 g/mol, XLogP of 15.15, 29 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide is sourced from PubChem (CID 165101507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).