About lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide
lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide (PubChem CID 159244911) has the molecular formula C69H65F8LiN14O14
and a molecular weight of 1473.29 g/mol. Its IUPAC name is lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide.
Analyze lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide with MolForge
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What is the IUPAC name of lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide?
The IUPAC name of lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide (CID 159244911) is lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide.
What is the SMILES notation for lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide?
The canonical SMILES for lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide is C1CCOC1.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3nccnc3n(C)c2=O)c2ncccc12)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.Cc1cc(N2CCOC[C@@H]2C(F)(F)F)cc(F)c1C(=O)N[C@@H](Cc1ccc(-n2c(=O)c3nccnc3n(C)c2=O)c2ncccc12)C(=O)O.[Li+].[OH-].
What is the InChIKey of lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide?
The InChIKey is KUODYIADDFLBEB-QAEBOPIVSA-M. The full InChI is InChI=1S/C33H29F4N7O6.C32H27F4N7O6.C4H8O.Li.H2O/c1-17-13-19(43-11-12-50-16-24(43)33(35,36)37)15-21(34)25(17)29(45)41-22(31(47)49-3)14-18-6-7-23(26-20(18)5-4-8-38-26)44-30(46)27-28(40-10-9-39-27)42(2)32(44)48;1-16-12-18(42-10-11-49-15-23(42)32(34,35)36)14-20(33)24(16)28(44)40-21(30(46)47)13-17-5-6-22(25-19(17)4-3-7-37-25)43-29(45)26-27(39-9-8-38-26)41(2)31(43)48;1-2-4-5-3-1;;/h4-10,13,15,22,24H,11-12,14,16H2,1-3H3,(H,41,45);3-9,12,14,21,23H,10-11,13,15H2,1-2H3,(H,40,44)(H,46,47);1-4H2;;1H2/q;;;+1;/p-1/t22-,24+;21-,23+;;;/m00.../s1.
What are the key properties of lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide?
lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide has a molecular weight of 1473.29 g/mol, XLogP of 3.05, 14 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoate;oxolane;hydroxide is sourced from PubChem (CID 159244911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).