About tert-butyl (2R,4R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-hydroxy-4-methylpyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,4-dimethylpyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline
tert-butyl (2R,4R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-hydroxy-4-methylpyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,4-dimethylpyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline (PubChem CID 167538261) has the molecular formula C119H149F28N17O17S4
and a molecular weight of 2749.81 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-hydroxy-4-methylpyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,4-dimethylpyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline.
Frequently Asked Questions
What is the IUPAC name of tert-butyl (2R,4R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-hydroxy-4-methylpyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,4-dimethylpyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline?
The IUPAC name of tert-butyl (2R,4R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-hydroxy-4-methylpyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,4-dimethylpyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline (CID 167538261) is tert-butyl (2R,4R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-hydroxy-4-methylpyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,4-dimethylpyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline.
What is the SMILES notation for tert-butyl (2R,4R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-hydroxy-4-methylpyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,4-dimethylpyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline?
The canonical SMILES for tert-butyl (2R,4R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-hydroxy-4-methylpyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,4-dimethylpyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline is CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@@H]1C(=O)O.Cc1ccnc(C)c1C(C(=O)NC1CCC(F)(F)CC1)N(C(=O)[C@H]1C[C@@](C)(O)CN1)c1ccc(S(F)(F)(F)(F)F)cc1.Cc1ccnc(C)c1C(C(=O)NC1CCC(F)(F)CC1)N(C(=O)[C@H]1C[C@@](C)(O)CN1C#N)c1ccc(S(F)(F)(F)(F)F)cc1.Cc1ccnc(C)c1C(C(=O)NC1CCC(F)(F)CC1)N(C(=O)[C@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)c1ccc(S(F)(F)(F)(F)F)cc1.Cc1ccnc(C)c1C=O.Nc1ccc(S(F)(F)(F)(F)F)cc1.[C-]#[N+]C1CCC(F)(F)CC1.
What is the InChIKey of tert-butyl (2R,4R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-hydroxy-4-methylpyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,4-dimethylpyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline?
The InChIKey is AVIMMOFECOKTJA-LQIXCRSSSA-N. The full InChI is InChI=1S/C32H41F7N4O5S.C28H32F7N5O3S.C27H33F7N4O3S.C11H19NO5.C8H9NO.C7H9F2N.C6H6F5NS/c1-19-13-16-40-20(2)25(19)26(27(44)41-21-11-14-32(33,34)15-12-21)43(22-7-9-23(10-8-22)49(35,36,37,38)39)28(45)24-17-31(6,47)18-42(24)29(46)48-30(3,4)5;1-17-10-13-37-18(2)23(17)24(25(41)38-19-8-11-28(29,30)12-9-19)40(26(42)22-14-27(3,43)15-39(22)16-36)20-4-6-21(7-5-20)44(31,32,33,34)35;1-16-10-13-35-17(2)22(16)23(24(39)37-18-8-11-27(28,29)12-9-18)38(25(40)21-14-26(3,41)15-36-21)19-4-6-20(7-5-19)42(30,31,32,33)34;1-10(2,3)17-9(15)12-6-11(4,16)5-7(12)8(13)14;1-6-3-4-9-7(2)8(6)5-10;1-10-6-2-4-7(8,9)5-3-6;7-13(8,9,10,11)6-3-1-5(12)2-4-6/h7-10,13,16,21,24,26,47H,11-12,14-15,17-18H2,1-6H3,(H,41,44);4-7,10,13,19,22,24,43H,8-9,11-12,14-15H2,1-3H3,(H,38,41);4-7,10,13,18,21,23,36,41H,8-9,11-12,14-15H2,1-3H3,(H,37,39);7,16H,5-6H2,1-4H3,(H,13,14);3-5H,1-2H3;6H,2-5H2;1-4H,12H2/t24-,26?,31-;22-,24?,27-;21-,23?,26-;7-,11-;;;/m1111.../s1.
What are the key properties of tert-butyl (2R,4R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-hydroxy-4-methylpyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,4-dimethylpyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline?
tert-butyl (2R,4R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-hydroxy-4-methylpyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,4-dimethylpyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline has a molecular weight of 2749.81 g/mol, XLogP of 29.30, 24 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-4-hydroxy-4-methylpyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2,4-dimethyl-3-pyridinyl)-2-oxoethyl]-4-hydroxy-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;2,4-dimethylpyridine-3-carbaldehyde;(2R,4R)-4-hydroxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline is sourced from PubChem (CID 167538261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).