About (2S,4R)-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-propoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-ol;2-propoxyethyl 4-methylbenzenesulfonate
(2S,4R)-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-propoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-ol;2-propoxyethyl 4-methylbenzenesulfonate (PubChem CID 158693326) has the molecular formula C144H154N24O23S6
and a molecular weight of 2781.36 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-propoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-ol;2-propoxyethyl 4-methylbenzenesulfonate.
Frequently Asked Questions
What is the IUPAC name of (2S,4R)-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-propoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-ol;2-propoxyethyl 4-methylbenzenesulfonate?
The IUPAC name of (2S,4R)-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-propoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-ol;2-propoxyethyl 4-methylbenzenesulfonate (CID 158693326) is (2S,4R)-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-propoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-ol;2-propoxyethyl 4-methylbenzenesulfonate.
What is the SMILES notation for (2S,4R)-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-propoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-ol;2-propoxyethyl 4-methylbenzenesulfonate?
The canonical SMILES for (2S,4R)-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-propoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-ol;2-propoxyethyl 4-methylbenzenesulfonate is CCCOCCOS(=O)(=O)c1ccc(C)cc1.CCCOCCOc1cc(-c2scnc2C)ccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c(O)c1.[C-]#[N+]c1ccn2c(NC)c(-c3cn4c(n3)sc3cc(O)ccc34)nc2c1.[C-]#[N+]c1ccn2c(NC)c(-c3cn4c(n3)sc3cc(OCCOCCOc5cc(-c6scnc6C)ccc5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H](C(C)C)N5Cc6ccccc6C5=O)ccc34)nc2c1.
What is the InChIKey of (2S,4R)-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-propoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-ol;2-propoxyethyl 4-methylbenzenesulfonate?
The InChIKey is IGPYDXHMTGYMQT-YKXZKASASA-N. The full InChI is InChI=1S/C51H50N10O7S2.C34H42N4O6S.C29H32N4O5S.C18H12N6OS.C12H18O4S/c1-29(2)45(61-25-33-8-6-7-9-37(33)49(61)64)50(65)59-26-35(62)22-40(59)48(63)54-24-32-11-10-31(46-30(3)55-28-69-46)20-41(32)68-19-17-66-16-18-67-36-12-13-39-42(23-36)70-51-56-38(27-60(39)51)44-47(53-5)58-15-14-34(52-4)21-43(58)57-44;1-5-12-43-13-14-44-29-15-23(31-22(4)36-20-45-31)10-11-24(29)17-35-32(40)28-16-26(39)19-37(28)34(42)30(21(2)3)38-18-25-8-6-7-9-27(25)33(38)41;1-16(2)25(33-13-20-6-4-5-7-22(20)28(33)37)29(38)32-14-21(34)11-23(32)27(36)30-12-19-9-8-18(10-24(19)35)26-17(3)31-15-39-26;1-19-10-5-6-23-15(7-10)22-16(17(23)20-2)12-9-24-13-4-3-11(25)8-14(13)26-18(24)21-12;1-3-8-15-9-10-16-17(13,14)12-6-4-11(2)5-7-12/h6-15,20-21,23,27-29,35,40,45,53,62H,16-19,22,24-26H2,1-3,5H3,(H,54,63);6-11,15,20-21,26,28,30,39H,5,12-14,16-19H2,1-4H3,(H,35,40);4-10,15-16,21,23,25,34-35H,11-14H2,1-3H3,(H,30,36);3-9,20,25H,2H3;4-7H,3,8-10H2,1-2H3/t35-,40+,45+;26-,28+,30+;21-,23+,25+;;/m111../s1.
What are the key properties of (2S,4R)-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-propoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-ol;2-propoxyethyl 4-methylbenzenesulfonate?
(2S,4R)-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-propoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-ol;2-propoxyethyl 4-methylbenzenesulfonate has a molecular weight of 2781.36 g/mol, XLogP of 21.18, 46 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-N-[[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[[2-[2-[2-[2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-(2-propoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;2-[7-isocyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]imidazo[2,1-b][1,3]benzothiazol-6-ol;2-propoxyethyl 4-methylbenzenesulfonate is sourced from PubChem (CID 158693326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).